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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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-c952ba98/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-c952ba98/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: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1078.538764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.538764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.538764 (E_RNA) where: Base-Base interactions energy: -502.693 where: short stacking energy: -389.779 Base-Backbone interact. energy: 0.048 local terms energy: -575.894334 where: bonds (distance) C4'-P energy: -134.681 bonds (distance) P-C4' energy: -166.403 flat angles C4'-P-C4' energy: -137.297 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -52.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -998.184247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.184247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.184247 (E_RNA) where: Base-Base interactions energy: -447.090 where: short stacking energy: -400.869 Base-Backbone interact. energy: 0.735 local terms energy: -551.829509 where: bonds (distance) C4'-P energy: -123.286 bonds (distance) P-C4' energy: -134.232 flat angles C4'-P-C4' energy: -146.662 flat angles P-C4'-P energy: -86.156 tors. eta vs tors. theta energy: -61.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1122.335726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.335726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.335726 (E_RNA) where: Base-Base interactions energy: -589.359 where: short stacking energy: -401.569 Base-Backbone interact. energy: 0.561 local terms energy: -533.537557 where: bonds (distance) C4'-P energy: -138.864 bonds (distance) P-C4' energy: -137.420 flat angles C4'-P-C4' energy: -144.518 flat angles P-C4'-P energy: -69.119 tors. eta vs tors. theta energy: -43.617 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: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1016.413149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.413149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.413149 (E_RNA) where: Base-Base interactions energy: -477.249 where: short stacking energy: -368.483 Base-Backbone interact. energy: 0.256 local terms energy: -539.419573 where: bonds (distance) C4'-P energy: -128.650 bonds (distance) P-C4' energy: -158.290 flat angles C4'-P-C4' energy: -132.516 flat angles P-C4'-P energy: -76.655 tors. eta vs tors. theta energy: -43.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1191.276805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.276805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.276805 (E_RNA) where: Base-Base interactions energy: -629.080 where: short stacking energy: -395.947 Base-Backbone interact. energy: -1.680 local terms energy: -560.516255 where: bonds (distance) C4'-P energy: -151.327 bonds (distance) P-C4' energy: -140.405 flat angles C4'-P-C4' energy: -136.827 flat angles P-C4'-P energy: -85.832 tors. eta vs tors. theta energy: -46.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1169.481808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.481808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.481808 (E_RNA) where: Base-Base interactions energy: -596.982 where: short stacking energy: -429.534 Base-Backbone interact. energy: -1.626 local terms energy: -570.874216 where: bonds (distance) C4'-P energy: -134.678 bonds (distance) P-C4' energy: -156.847 flat angles C4'-P-C4' energy: -147.019 flat angles P-C4'-P energy: -74.987 tors. eta vs tors. theta energy: -57.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1269.486360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.486360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.486360 (E_RNA) where: Base-Base interactions energy: -649.825 where: short stacking energy: -525.990 Base-Backbone interact. energy: -0.360 local terms energy: -619.302182 where: bonds (distance) C4'-P energy: -142.711 bonds (distance) P-C4' energy: -127.622 flat angles C4'-P-C4' energy: -158.326 flat angles P-C4'-P energy: -82.854 tors. eta vs tors. theta energy: -107.790 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: 6 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1218.880940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.880940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.880940 (E_RNA) where: Base-Base interactions energy: -611.303 where: short stacking energy: -425.355 Base-Backbone interact. energy: -3.941 local terms energy: -603.636660 where: bonds (distance) C4'-P energy: -167.827 bonds (distance) P-C4' energy: -153.929 flat angles C4'-P-C4' energy: -138.854 flat angles P-C4'-P energy: -82.107 tors. eta vs tors. theta energy: -60.920 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: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1138.457680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.457680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.457680 (E_RNA) where: Base-Base interactions energy: -587.239 where: short stacking energy: -393.253 Base-Backbone interact. energy: -2.054 local terms energy: -549.165004 where: bonds (distance) C4'-P energy: -138.355 bonds (distance) P-C4' energy: -145.633 flat angles C4'-P-C4' energy: -131.655 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -51.685 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: 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: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1397.810828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.810828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.810828 (E_RNA) where: Base-Base interactions energy: -710.318 where: short stacking energy: -581.300 Base-Backbone interact. energy: -1.121 local terms energy: -686.371358 where: bonds (distance) C4'-P energy: -147.849 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -171.600 flat angles P-C4'-P energy: -94.523 tors. eta vs tors. theta energy: -123.585 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: 8 Temperature: 1.050000 Total energy: -1311.356447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.356447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.356447 (E_RNA) where: Base-Base interactions energy: -707.544 where: short stacking energy: -481.782 Base-Backbone interact. energy: -1.676 local terms energy: -602.136804 where: bonds (distance) C4'-P energy: -141.901 bonds (distance) P-C4' energy: -147.176 flat angles C4'-P-C4' energy: -136.464 flat angles P-C4'-P energy: -87.064 tors. eta vs tors. theta energy: -89.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1306.939047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.939047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.939047 (E_RNA) where: Base-Base interactions energy: -705.792 where: short stacking energy: -411.379 Base-Backbone interact. energy: -3.985 local terms energy: -597.162263 where: bonds (distance) C4'-P energy: -137.402 bonds (distance) P-C4' energy: -167.855 flat angles C4'-P-C4' energy: -143.014 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -64.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1239.833698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.833698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.833698 (E_RNA) where: Base-Base interactions energy: -661.655 where: short stacking energy: -399.692 Base-Backbone interact. energy: 1.719 local terms energy: -579.897847 where: bonds (distance) C4'-P energy: -137.888 bonds (distance) P-C4' energy: -147.342 flat angles C4'-P-C4' energy: -136.295 flat angles P-C4'-P energy: -90.453 tors. eta vs tors. theta energy: -67.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1452.088771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.088771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.088771 (E_RNA) where: Base-Base interactions energy: -732.367 where: short stacking energy: -569.057 Base-Backbone interact. energy: 0.355 local terms energy: -720.076925 where: bonds (distance) C4'-P energy: -161.119 bonds (distance) P-C4' energy: -155.496 flat angles C4'-P-C4' energy: -154.467 flat angles P-C4'-P energy: -109.810 tors. eta vs tors. theta energy: -139.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1453.434840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.434840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.434840 (E_RNA) where: Base-Base interactions energy: -845.723 where: short stacking energy: -461.241 Base-Backbone interact. energy: -0.536 local terms energy: -607.175575 where: bonds (distance) C4'-P energy: -143.079 bonds (distance) P-C4' energy: -148.196 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -81.159 tors. eta vs tors. theta energy: -86.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1351.515272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.515272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.515272 (E_RNA) where: Base-Base interactions energy: -740.496 where: short stacking energy: -488.946 Base-Backbone interact. energy: -2.627 local terms energy: -608.393007 where: bonds (distance) C4'-P energy: -145.103 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -144.328 flat angles P-C4'-P energy: -77.575 tors. eta vs tors. theta energy: -86.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 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: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1151.065813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.065813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.065813 (E_RNA) where: Base-Base interactions energy: -626.949 where: short stacking energy: -394.885 Base-Backbone interact. energy: 2.419 local terms energy: -526.535673 where: bonds (distance) C4'-P energy: -123.540 bonds (distance) P-C4' energy: -153.417 flat angles C4'-P-C4' energy: -132.906 flat angles P-C4'-P energy: -70.877 tors. eta vs tors. theta energy: -45.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1661.768294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.768294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.768294 (E_RNA) where: Base-Base interactions energy: -1041.902 where: short stacking energy: -584.073 Base-Backbone interact. energy: 1.338 local terms energy: -621.204751 where: bonds (distance) C4'-P energy: -136.648 bonds (distance) P-C4' energy: -144.915 flat angles C4'-P-C4' energy: -140.794 flat angles P-C4'-P energy: -86.145 tors. eta vs tors. theta energy: -112.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1400.972874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.972874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.972874 (E_RNA) where: Base-Base interactions energy: -718.309 where: short stacking energy: -539.662 Base-Backbone interact. energy: 3.510 local terms energy: -686.174115 where: bonds (distance) C4'-P energy: -152.488 bonds (distance) P-C4' energy: -157.639 flat angles C4'-P-C4' energy: -165.100 flat angles P-C4'-P energy: -82.199 tors. eta vs tors. theta energy: -128.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: -1288.774460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.774460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.774460 (E_RNA) where: Base-Base interactions energy: -727.606 where: short stacking energy: -468.415 Base-Backbone interact. energy: -3.600 local terms energy: -557.569175 where: bonds (distance) C4'-P energy: -131.318 bonds (distance) P-C4' energy: -130.099 flat angles C4'-P-C4' energy: -130.786 flat angles P-C4'-P energy: -78.049 tors. eta vs tors. theta energy: -87.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1150.839814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.839814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.839814 (E_RNA) where: Base-Base interactions energy: -621.490 where: short stacking energy: -357.349 Base-Backbone interact. energy: -3.433 local terms energy: -525.916998 where: bonds (distance) C4'-P energy: -137.094 bonds (distance) P-C4' energy: -150.197 flat angles C4'-P-C4' energy: -135.501 flat angles P-C4'-P energy: -56.546 tors. eta vs tors. theta energy: -46.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 6 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1723.497632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.497632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.497632 (E_RNA) where: Base-Base interactions energy: -1028.450 where: short stacking energy: -573.521 Base-Backbone interact. energy: 0.705 local terms energy: -695.751757 where: bonds (distance) C4'-P energy: -140.868 bonds (distance) P-C4' energy: -158.852 flat angles C4'-P-C4' energy: -157.528 flat angles P-C4'-P energy: -100.862 tors. eta vs tors. theta energy: -137.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 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: -1393.163304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.163304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.163304 (E_RNA) where: Base-Base interactions energy: -765.325 where: short stacking energy: -491.444 Base-Backbone interact. energy: -1.768 local terms energy: -626.071011 where: bonds (distance) C4'-P energy: -136.634 bonds (distance) P-C4' energy: -148.925 flat angles C4'-P-C4' energy: -147.262 flat angles P-C4'-P energy: -82.365 tors. eta vs tors. theta energy: -110.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1377.948375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.948375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.948375 (E_RNA) where: Base-Base interactions energy: -793.802 where: short stacking energy: -469.133 Base-Backbone interact. energy: -1.680 local terms energy: -582.466164 where: bonds (distance) C4'-P energy: -135.648 bonds (distance) P-C4' energy: -134.937 flat angles C4'-P-C4' energy: -141.829 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -89.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1247.091302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.091302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.091302 (E_RNA) where: Base-Base interactions energy: -679.042 where: short stacking energy: -427.196 Base-Backbone interact. energy: -3.476 local terms energy: -564.573302 where: bonds (distance) C4'-P energy: -145.099 bonds (distance) P-C4' energy: -137.526 flat angles C4'-P-C4' energy: -129.134 flat angles P-C4'-P energy: -95.727 tors. eta vs tors. theta energy: -57.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 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: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1646.403676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.403676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.403676 (E_RNA) where: Base-Base interactions energy: -983.966 where: short stacking energy: -523.314 Base-Backbone interact. energy: -3.494 local terms energy: -658.943900 where: bonds (distance) C4'-P energy: -139.394 bonds (distance) P-C4' energy: -163.412 flat angles C4'-P-C4' energy: -136.160 flat angles P-C4'-P energy: -101.350 tors. eta vs tors. theta energy: -118.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1585.736894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.736894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.736894 (E_RNA) where: Base-Base interactions energy: -934.501 where: short stacking energy: -562.357 Base-Backbone interact. energy: 1.716 local terms energy: -652.951567 where: bonds (distance) C4'-P energy: -133.969 bonds (distance) P-C4' energy: -147.052 flat angles C4'-P-C4' energy: -143.307 flat angles P-C4'-P energy: -96.270 tors. eta vs tors. theta energy: -132.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1275.183649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.183649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.183649 (E_RNA) where: Base-Base interactions energy: -697.145 where: short stacking energy: -445.800 Base-Backbone interact. energy: 0.055 local terms energy: -578.093151 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -137.981 flat angles C4'-P-C4' energy: -154.042 flat angles P-C4'-P energy: -73.404 tors. eta vs tors. theta energy: -80.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1135.239776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.239776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.239776 (E_RNA) where: Base-Base interactions energy: -623.467 where: short stacking energy: -372.026 Base-Backbone interact. energy: 8.197 local terms energy: -519.969919 where: bonds (distance) C4'-P energy: -130.947 bonds (distance) P-C4' energy: -151.820 flat angles C4'-P-C4' energy: -119.358 flat angles P-C4'-P energy: -82.008 tors. eta vs tors. theta energy: -35.837 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: 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: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1665.283522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.283522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.283522 (E_RNA) where: Base-Base interactions energy: -1018.627 where: short stacking energy: -538.323 Base-Backbone interact. energy: -2.075 local terms energy: -644.581302 where: bonds (distance) C4'-P energy: -138.855 bonds (distance) P-C4' energy: -159.897 flat angles C4'-P-C4' energy: -147.546 flat angles P-C4'-P energy: -93.109 tors. eta vs tors. theta energy: -105.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1574.483505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.483505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.483505 (E_RNA) where: Base-Base interactions energy: -933.228 where: short stacking energy: -551.786 Base-Backbone interact. energy: -1.254 local terms energy: -640.002242 where: bonds (distance) C4'-P energy: -132.977 bonds (distance) P-C4' energy: -130.001 flat angles C4'-P-C4' energy: -159.224 flat angles P-C4'-P energy: -95.118 tors. eta vs tors. theta energy: -122.683 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: 2 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1401.426728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.426728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.426728 (E_RNA) where: Base-Base interactions energy: -813.241 where: short stacking energy: -433.797 Base-Backbone interact. energy: -4.114 local terms energy: -584.071617 where: bonds (distance) C4'-P energy: -135.454 bonds (distance) P-C4' energy: -139.652 flat angles C4'-P-C4' energy: -142.709 flat angles P-C4'-P energy: -78.376 tors. eta vs tors. theta energy: -87.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1095.883874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.883874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.883874 (E_RNA) where: Base-Base interactions energy: -581.560 where: short stacking energy: -348.905 Base-Backbone interact. energy: 0.361 local terms energy: -514.684398 where: bonds (distance) C4'-P energy: -117.069 bonds (distance) P-C4' energy: -133.995 flat angles C4'-P-C4' energy: -140.696 flat angles P-C4'-P energy: -83.384 tors. eta vs tors. theta energy: -39.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1884.432241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.432241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.432241 (E_RNA) where: Base-Base interactions energy: -1178.067 where: short stacking energy: -612.098 Base-Backbone interact. energy: -4.317 local terms energy: -702.048222 where: bonds (distance) C4'-P energy: -155.696 bonds (distance) P-C4' energy: -157.982 flat angles C4'-P-C4' energy: -158.926 flat angles P-C4'-P energy: -98.739 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: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1426.135792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.135792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.135792 (E_RNA) where: Base-Base interactions energy: -760.362 where: short stacking energy: -506.838 Base-Backbone interact. energy: -3.043 local terms energy: -662.730729 where: bonds (distance) C4'-P energy: -161.774 bonds (distance) P-C4' energy: -141.177 flat angles C4'-P-C4' energy: -149.312 flat angles P-C4'-P energy: -103.926 tors. eta vs tors. theta energy: -106.542 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: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1613.136715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.136715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.136715 (E_RNA) where: Base-Base interactions energy: -933.912 where: short stacking energy: -505.029 Base-Backbone interact. energy: -2.801 local terms energy: -676.424566 where: bonds (distance) C4'-P energy: -144.651 bonds (distance) P-C4' energy: -169.906 flat angles C4'-P-C4' energy: -166.277 flat angles P-C4'-P energy: -84.974 tors. eta vs tors. theta energy: -110.617 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: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1410.808216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.808216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.808216 (E_RNA) where: Base-Base interactions energy: -836.337 where: short stacking energy: -446.352 Base-Backbone interact. energy: -1.561 local terms energy: -572.910318 where: bonds (distance) C4'-P energy: -133.690 bonds (distance) P-C4' energy: -142.720 flat angles C4'-P-C4' energy: -145.168 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -73.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1117.855081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.855081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.855081 (E_RNA) where: Base-Base interactions energy: -630.052 where: short stacking energy: -341.432 Base-Backbone interact. energy: -2.520 local terms energy: -485.283289 where: bonds (distance) C4'-P energy: -118.881 bonds (distance) P-C4' energy: -131.768 flat angles C4'-P-C4' energy: -126.177 flat angles P-C4'-P energy: -84.694 tors. eta vs tors. theta energy: -23.763 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: 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: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1996.971627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.971627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.971627 (E_RNA) where: Base-Base interactions energy: -1272.989 where: short stacking energy: -651.925 Base-Backbone interact. energy: 5.910 local terms energy: -729.891791 where: bonds (distance) C4'-P energy: -150.498 bonds (distance) P-C4' energy: -162.161 flat angles C4'-P-C4' energy: -158.948 flat angles P-C4'-P energy: -103.856 tors. eta vs tors. theta energy: -154.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1817.577443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.577443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.577443 (E_RNA) where: Base-Base interactions energy: -1101.323 where: short stacking energy: -627.059 Base-Backbone interact. energy: -1.467 local terms energy: -714.787527 where: bonds (distance) C4'-P energy: -157.853 bonds (distance) P-C4' energy: -144.767 flat angles C4'-P-C4' energy: -160.139 flat angles P-C4'-P energy: -106.338 tors. eta vs tors. theta energy: -145.690 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: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1771.193100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.193100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.193100 (E_RNA) where: Base-Base interactions energy: -1086.100 where: short stacking energy: -597.318 Base-Backbone interact. energy: -1.733 local terms energy: -683.359647 where: bonds (distance) C4'-P energy: -146.608 bonds (distance) P-C4' energy: -129.202 flat angles C4'-P-C4' energy: -168.458 flat angles P-C4'-P energy: -104.100 tors. eta vs tors. theta energy: -134.992 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: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1301.659264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.659264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.659264 (E_RNA) where: Base-Base interactions energy: -700.802 where: short stacking energy: -450.629 Base-Backbone interact. energy: 0.586 local terms energy: -601.442916 where: bonds (distance) C4'-P energy: -146.329 bonds (distance) P-C4' energy: -158.526 flat angles C4'-P-C4' energy: -129.100 flat angles P-C4'-P energy: -88.782 tors. eta vs tors. theta energy: -78.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1459.476836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.476836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.476836 (E_RNA) where: Base-Base interactions energy: -869.771 where: short stacking energy: -483.929 Base-Backbone interact. energy: -2.658 local terms energy: -587.048053 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -141.499 flat angles C4'-P-C4' energy: -128.526 flat angles P-C4'-P energy: -98.411 tors. eta vs tors. theta energy: -83.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1369.089655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.089655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.089655 (E_RNA) where: Base-Base interactions energy: -802.319 where: short stacking energy: -437.160 Base-Backbone interact. energy: 0.857 local terms energy: -567.627175 where: bonds (distance) C4'-P energy: -124.169 bonds (distance) P-C4' energy: -150.700 flat angles C4'-P-C4' energy: -135.265 flat angles P-C4'-P energy: -94.612 tors. eta vs tors. theta energy: -62.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1106.807965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.807965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.807965 (E_RNA) where: Base-Base interactions energy: -630.448 where: short stacking energy: -348.508 Base-Backbone interact. energy: 0.681 local terms energy: -477.040837 where: bonds (distance) C4'-P energy: -123.351 bonds (distance) P-C4' energy: -133.613 flat angles C4'-P-C4' energy: -124.627 flat angles P-C4'-P energy: -66.136 tors. eta vs tors. theta energy: -29.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2021.724188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.724188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.724188 (E_RNA) where: Base-Base interactions energy: -1272.965 where: short stacking energy: -642.359 Base-Backbone interact. energy: -5.751 local terms energy: -743.008160 where: bonds (distance) C4'-P energy: -153.436 bonds (distance) P-C4' energy: -171.937 flat angles C4'-P-C4' energy: -157.810 flat angles P-C4'-P energy: -116.215 tors. eta vs tors. theta energy: -143.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1875.368209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.368209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.368209 (E_RNA) where: Base-Base interactions energy: -1166.135 where: short stacking energy: -660.501 Base-Backbone interact. energy: -3.088 local terms energy: -706.145580 where: bonds (distance) C4'-P energy: -138.790 bonds (distance) P-C4' energy: -144.329 flat angles C4'-P-C4' energy: -168.847 flat angles P-C4'-P energy: -98.712 tors. eta vs tors. theta energy: -155.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1765.168952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.168952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.168952 (E_RNA) where: Base-Base interactions energy: -1093.253 where: short stacking energy: -569.517 Base-Backbone interact. energy: 6.104 local terms energy: -678.020325 where: bonds (distance) C4'-P energy: -144.997 bonds (distance) P-C4' energy: -151.344 flat angles C4'-P-C4' energy: -157.498 flat angles P-C4'-P energy: -96.526 tors. eta vs tors. theta energy: -127.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1595.122835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.122835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.122835 (E_RNA) where: Base-Base interactions energy: -971.832 where: short stacking energy: -518.465 Base-Backbone interact. energy: -0.636 local terms energy: -622.655338 where: bonds (distance) C4'-P energy: -139.826 bonds (distance) P-C4' energy: -143.589 flat angles C4'-P-C4' energy: -149.674 flat angles P-C4'-P energy: -92.726 tors. eta vs tors. theta energy: -96.840 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: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1270.734931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.734931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.734931 (E_RNA) where: Base-Base interactions energy: -681.691 where: short stacking energy: -425.869 Base-Backbone interact. energy: -0.499 local terms energy: -588.544920 where: bonds (distance) C4'-P energy: -129.977 bonds (distance) P-C4' energy: -160.949 flat angles C4'-P-C4' energy: -146.339 flat angles P-C4'-P energy: -79.614 tors. eta vs tors. theta energy: -71.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1368.580088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.580088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.580088 (E_RNA) where: Base-Base interactions energy: -805.115 where: short stacking energy: -459.106 Base-Backbone interact. energy: -1.686 local terms energy: -561.778977 where: bonds (distance) C4'-P energy: -118.760 bonds (distance) P-C4' energy: -136.344 flat angles C4'-P-C4' energy: -148.442 flat angles P-C4'-P energy: -65.305 tors. eta vs tors. theta energy: -92.928 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: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1109.881525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.881525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.881525 (E_RNA) where: Base-Base interactions energy: -626.435 where: short stacking energy: -311.767 Base-Backbone interact. energy: -1.999 local terms energy: -481.447389 where: bonds (distance) C4'-P energy: -142.402 bonds (distance) P-C4' energy: -103.951 flat angles C4'-P-C4' energy: -125.221 flat angles P-C4'-P energy: -84.712 tors. eta vs tors. theta energy: -25.162 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: 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: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2070.875155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.875155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.875155 (E_RNA) where: Base-Base interactions energy: -1347.703 where: short stacking energy: -693.086 Base-Backbone interact. energy: -6.052 local terms energy: -717.120237 where: bonds (distance) C4'-P energy: -161.431 bonds (distance) P-C4' energy: -144.054 flat angles C4'-P-C4' energy: -165.287 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -148.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1852.783416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.783416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.783416 (E_RNA) where: Base-Base interactions energy: -1117.841 where: short stacking energy: -635.120 Base-Backbone interact. energy: 0.057 local terms energy: -734.999464 where: bonds (distance) C4'-P energy: -143.073 bonds (distance) P-C4' energy: -161.951 flat angles C4'-P-C4' energy: -176.387 flat angles P-C4'-P energy: -109.719 tors. eta vs tors. theta energy: -143.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1806.538569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.538569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.538569 (E_RNA) where: Base-Base interactions energy: -1114.897 where: short stacking energy: -592.043 Base-Backbone interact. energy: 1.367 local terms energy: -693.008235 where: bonds (distance) C4'-P energy: -153.843 bonds (distance) P-C4' energy: -143.737 flat angles C4'-P-C4' energy: -167.639 flat angles P-C4'-P energy: -86.890 tors. eta vs tors. theta energy: -140.899 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: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1751.854187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.854187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.854187 (E_RNA) where: Base-Base interactions energy: -1099.752 where: short stacking energy: -562.974 Base-Backbone interact. energy: -1.738 local terms energy: -650.364293 where: bonds (distance) C4'-P energy: -142.191 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -154.120 flat angles P-C4'-P energy: -84.405 tors. eta vs tors. theta energy: -131.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1401.729505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.729505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.729505 (E_RNA) where: Base-Base interactions energy: -807.258 where: short stacking energy: -447.679 Base-Backbone interact. energy: -1.618 local terms energy: -592.852554 where: bonds (distance) C4'-P energy: -138.316 bonds (distance) P-C4' energy: -129.365 flat angles C4'-P-C4' energy: -146.958 flat angles P-C4'-P energy: -96.538 tors. eta vs tors. theta energy: -81.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1157.630823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.630823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.630823 (E_RNA) where: Base-Base interactions energy: -634.437 where: short stacking energy: -394.400 Base-Backbone interact. energy: 1.842 local terms energy: -525.036013 where: bonds (distance) C4'-P energy: -127.237 bonds (distance) P-C4' energy: -145.760 flat angles C4'-P-C4' energy: -104.374 flat angles P-C4'-P energy: -89.552 tors. eta vs tors. theta energy: -58.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 5 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1010.247980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.247980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.247980 (E_RNA) where: Base-Base interactions energy: -536.402 where: short stacking energy: -320.837 Base-Backbone interact. energy: -0.913 local terms energy: -472.933560 where: bonds (distance) C4'-P energy: -128.828 bonds (distance) P-C4' energy: -127.190 flat angles C4'-P-C4' energy: -115.962 flat angles P-C4'-P energy: -68.810 tors. eta vs tors. theta energy: -32.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2104.144552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.144552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.144552 (E_RNA) where: Base-Base interactions energy: -1352.687 where: short stacking energy: -661.040 Base-Backbone interact. energy: -1.451 local terms energy: -750.007033 where: bonds (distance) C4'-P energy: -162.662 bonds (distance) P-C4' energy: -176.845 flat angles C4'-P-C4' energy: -166.411 flat angles P-C4'-P energy: -93.776 tors. eta vs tors. theta energy: -150.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1894.627773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.627773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.627773 (E_RNA) where: Base-Base interactions energy: -1160.271 where: short stacking energy: -635.537 Base-Backbone interact. energy: -1.359 local terms energy: -732.997729 where: bonds (distance) C4'-P energy: -150.683 bonds (distance) P-C4' energy: -169.850 flat angles C4'-P-C4' energy: -161.248 flat angles P-C4'-P energy: -98.730 tors. eta vs tors. theta energy: -152.487 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: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1786.319633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.319633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.319633 (E_RNA) where: Base-Base interactions energy: -1094.302 where: short stacking energy: -584.385 Base-Backbone interact. energy: 1.259 local terms energy: -693.276623 where: bonds (distance) C4'-P energy: -148.904 bonds (distance) P-C4' energy: -160.529 flat angles C4'-P-C4' energy: -150.695 flat angles P-C4'-P energy: -100.829 tors. eta vs tors. theta energy: -132.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1770.817410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.817410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.817410 (E_RNA) where: Base-Base interactions energy: -1106.853 where: short stacking energy: -575.855 Base-Backbone interact. energy: -4.346 local terms energy: -659.618466 where: bonds (distance) C4'-P energy: -144.577 bonds (distance) P-C4' energy: -137.861 flat angles C4'-P-C4' energy: -158.309 flat angles P-C4'-P energy: -102.524 tors. eta vs tors. theta energy: -116.348 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: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1411.008468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.008468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.008468 (E_RNA) where: Base-Base interactions energy: -798.142 where: short stacking energy: -454.348 Base-Backbone interact. energy: 2.491 local terms energy: -615.357947 where: bonds (distance) C4'-P energy: -148.480 bonds (distance) P-C4' energy: -132.988 flat angles C4'-P-C4' energy: -141.351 flat angles P-C4'-P energy: -94.783 tors. eta vs tors. theta energy: -97.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1392.905157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.905157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.905157 (E_RNA) where: Base-Base interactions energy: -832.303 where: short stacking energy: -417.797 Base-Backbone interact. energy: 2.385 local terms energy: -562.987392 where: bonds (distance) C4'-P energy: -134.986 bonds (distance) P-C4' energy: -141.733 flat angles C4'-P-C4' energy: -133.374 flat angles P-C4'-P energy: -91.840 tors. eta vs tors. theta energy: -61.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1100.855657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.855657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.855657 (E_RNA) where: Base-Base interactions energy: -573.899 where: short stacking energy: -362.613 Base-Backbone interact. energy: -2.298 local terms energy: -524.658601 where: bonds (distance) C4'-P energy: -125.112 bonds (distance) P-C4' energy: -156.264 flat angles C4'-P-C4' energy: -130.342 flat angles P-C4'-P energy: -72.846 tors. eta vs tors. theta energy: -40.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -987.392032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.392032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.392032 (E_RNA) where: Base-Base interactions energy: -536.972 where: short stacking energy: -284.996 Base-Backbone interact. energy: -2.282 local terms energy: -448.138490 where: bonds (distance) C4'-P energy: -114.912 bonds (distance) P-C4' energy: -151.287 flat angles C4'-P-C4' energy: -115.813 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -6.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -856.033319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.033319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.033319 (E_RNA) where: Base-Base interactions energy: -478.039 where: short stacking energy: -288.488 Base-Backbone interact. energy: -0.871 local terms energy: -377.123603 where: bonds (distance) C4'-P energy: -95.789 bonds (distance) P-C4' energy: -114.421 flat angles C4'-P-C4' energy: -97.460 flat angles P-C4'-P energy: -55.105 tors. eta vs tors. theta energy: -14.348 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: 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: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2072.810083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.810083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.810083 (E_RNA) where: Base-Base interactions energy: -1332.125 where: short stacking energy: -652.353 Base-Backbone interact. energy: 1.771 local terms energy: -742.455966 where: bonds (distance) C4'-P energy: -161.720 bonds (distance) P-C4' energy: -174.740 flat angles C4'-P-C4' energy: -167.473 flat angles P-C4'-P energy: -90.990 tors. eta vs tors. theta energy: -147.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1911.410869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.410869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.410869 (E_RNA) where: Base-Base interactions energy: -1217.672 where: short stacking energy: -641.957 Base-Backbone interact. energy: 0.184 local terms energy: -693.922634 where: bonds (distance) C4'-P energy: -135.691 bonds (distance) P-C4' energy: -154.353 flat angles C4'-P-C4' energy: -151.763 flat angles P-C4'-P energy: -102.166 tors. eta vs tors. theta energy: -149.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1787.081233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.081233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.081233 (E_RNA) where: Base-Base interactions energy: -1084.675 where: short stacking energy: -568.490 Base-Backbone interact. energy: -1.506 local terms energy: -700.899319 where: bonds (distance) C4'-P energy: -142.411 bonds (distance) P-C4' energy: -159.283 flat angles C4'-P-C4' energy: -158.645 flat angles P-C4'-P energy: -97.424 tors. eta vs tors. theta energy: -143.137 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: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1831.503255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.503255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.503255 (E_RNA) where: Base-Base interactions energy: -1198.234 where: short stacking energy: -602.888 Base-Backbone interact. energy: -5.028 local terms energy: -628.240836 where: bonds (distance) C4'-P energy: -126.405 bonds (distance) P-C4' energy: -153.066 flat angles C4'-P-C4' energy: -144.560 flat angles P-C4'-P energy: -77.724 tors. eta vs tors. theta energy: -126.486 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: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1507.892024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.892024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.892024 (E_RNA) where: Base-Base interactions energy: -927.130 where: short stacking energy: -497.126 Base-Backbone interact. energy: -2.465 local terms energy: -578.297221 where: bonds (distance) C4'-P energy: -138.444 bonds (distance) P-C4' energy: -147.150 flat angles C4'-P-C4' energy: -139.865 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -80.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1359.056457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.056457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.056457 (E_RNA) where: Base-Base interactions energy: -764.718 where: short stacking energy: -426.888 Base-Backbone interact. energy: -3.950 local terms energy: -590.388321 where: bonds (distance) C4'-P energy: -134.768 bonds (distance) P-C4' energy: -160.881 flat angles C4'-P-C4' energy: -118.721 flat angles P-C4'-P energy: -102.716 tors. eta vs tors. theta energy: -73.302 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: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1186.195421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.195421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.195421 (E_RNA) where: Base-Base interactions energy: -671.908 where: short stacking energy: -383.998 Base-Backbone interact. energy: 3.843 local terms energy: -518.130411 where: bonds (distance) C4'-P energy: -121.303 bonds (distance) P-C4' energy: -143.016 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -46.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1068.945117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.945117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.945117 (E_RNA) where: Base-Base interactions energy: -577.891 where: short stacking energy: -336.446 Base-Backbone interact. energy: 1.883 local terms energy: -492.936868 where: bonds (distance) C4'-P energy: -137.819 bonds (distance) P-C4' energy: -129.455 flat angles C4'-P-C4' energy: -117.118 flat angles P-C4'-P energy: -79.708 tors. eta vs tors. theta energy: -28.836 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: 10, replica: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -859.576437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.576437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.576437 (E_RNA) where: Base-Base interactions energy: -399.346 where: short stacking energy: -257.337 Base-Backbone interact. energy: 1.581 local terms energy: -461.811708 where: bonds (distance) C4'-P energy: -133.253 bonds (distance) P-C4' energy: -128.676 flat angles C4'-P-C4' energy: -138.077 flat angles P-C4'-P energy: -57.518 tors. eta vs tors. theta energy: -4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2064.107538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.107538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.107538 (E_RNA) where: Base-Base interactions energy: -1312.519 where: short stacking energy: -668.360 Base-Backbone interact. energy: -3.858 local terms energy: -747.730222 where: bonds (distance) C4'-P energy: -155.524 bonds (distance) P-C4' energy: -147.359 flat angles C4'-P-C4' energy: -179.949 flat angles P-C4'-P energy: -114.137 tors. eta vs tors. theta energy: -150.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1970.131042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.131042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.131042 (E_RNA) where: Base-Base interactions energy: -1259.617 where: short stacking energy: -635.974 Base-Backbone interact. energy: -3.476 local terms energy: -707.038134 where: bonds (distance) C4'-P energy: -129.344 bonds (distance) P-C4' energy: -155.867 flat angles C4'-P-C4' energy: -174.049 flat angles P-C4'-P energy: -105.068 tors. eta vs tors. theta energy: -142.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1829.174100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.174100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.174100 (E_RNA) where: Base-Base interactions energy: -1131.099 where: short stacking energy: -612.398 Base-Backbone interact. energy: 2.409 local terms energy: -700.483992 where: bonds (distance) C4'-P energy: -135.748 bonds (distance) P-C4' energy: -155.808 flat angles C4'-P-C4' energy: -157.846 flat angles P-C4'-P energy: -108.613 tors. eta vs tors. theta energy: -142.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1863.824863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.824863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.824863 (E_RNA) where: Base-Base interactions energy: -1195.815 where: short stacking energy: -591.418 Base-Backbone interact. energy: 1.179 local terms energy: -669.188875 where: bonds (distance) C4'-P energy: -138.630 bonds (distance) P-C4' energy: -145.757 flat angles C4'-P-C4' energy: -151.418 flat angles P-C4'-P energy: -95.936 tors. eta vs tors. theta energy: -137.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1575.865130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.865130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.865130 (E_RNA) where: Base-Base interactions energy: -965.013 where: short stacking energy: -516.238 Base-Backbone interact. energy: -0.443 local terms energy: -610.408565 where: bonds (distance) C4'-P energy: -120.614 bonds (distance) P-C4' energy: -151.351 flat angles C4'-P-C4' energy: -155.613 flat angles P-C4'-P energy: -79.136 tors. eta vs tors. theta energy: -103.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1386.479614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.479614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.479614 (E_RNA) where: Base-Base interactions energy: -825.288 where: short stacking energy: -421.093 Base-Backbone interact. energy: -2.711 local terms energy: -558.480543 where: bonds (distance) C4'-P energy: -128.661 bonds (distance) P-C4' energy: -134.634 flat angles C4'-P-C4' energy: -137.961 flat angles P-C4'-P energy: -95.449 tors. eta vs tors. theta energy: -61.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1217.068100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.068100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.068100 (E_RNA) where: Base-Base interactions energy: -685.557 where: short stacking energy: -388.441 Base-Backbone interact. energy: 0.791 local terms energy: -532.301732 where: bonds (distance) C4'-P energy: -143.143 bonds (distance) P-C4' energy: -138.776 flat angles C4'-P-C4' energy: -130.252 flat angles P-C4'-P energy: -82.213 tors. eta vs tors. theta energy: -37.918 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: 1 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1006.256449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.256449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.256449 (E_RNA) where: Base-Base interactions energy: -552.245 where: short stacking energy: -305.187 Base-Backbone interact. energy: 2.452 local terms energy: -456.463494 where: bonds (distance) C4'-P energy: -130.423 bonds (distance) P-C4' energy: -141.893 flat angles C4'-P-C4' energy: -120.392 flat angles P-C4'-P energy: -48.132 tors. eta vs tors. theta energy: -15.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -824.826204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.826204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.826204 (E_RNA) where: Base-Base interactions energy: -389.173 where: short stacking energy: -228.063 Base-Backbone interact. energy: -0.657 local terms energy: -434.996807 where: bonds (distance) C4'-P energy: -133.793 bonds (distance) P-C4' energy: -131.579 flat angles C4'-P-C4' energy: -105.337 flat angles P-C4'-P energy: -63.605 tors. eta vs tors. theta energy: -0.683 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: 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: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2086.213554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.213554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.213554 (E_RNA) where: Base-Base interactions energy: -1347.914 where: short stacking energy: -658.170 Base-Backbone interact. energy: -3.017 local terms energy: -735.281789 where: bonds (distance) C4'-P energy: -168.370 bonds (distance) P-C4' energy: -147.694 flat angles C4'-P-C4' energy: -169.096 flat angles P-C4'-P energy: -103.046 tors. eta vs tors. theta energy: -147.075 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: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1956.887166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.887166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.887166 (E_RNA) where: Base-Base interactions energy: -1254.776 where: short stacking energy: -637.069 Base-Backbone interact. energy: -0.279 local terms energy: -701.831833 where: bonds (distance) C4'-P energy: -150.962 bonds (distance) P-C4' energy: -159.800 flat angles C4'-P-C4' energy: -162.350 flat angles P-C4'-P energy: -94.251 tors. eta vs tors. theta energy: -134.469 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: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1931.799441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.799441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.799441 (E_RNA) where: Base-Base interactions energy: -1225.360 where: short stacking energy: -631.510 Base-Backbone interact. energy: -6.026 local terms energy: -700.413617 where: bonds (distance) C4'-P energy: -133.433 bonds (distance) P-C4' energy: -159.093 flat angles C4'-P-C4' energy: -172.033 flat angles P-C4'-P energy: -98.662 tors. eta vs tors. theta energy: -137.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1679.338737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.338737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.338737 (E_RNA) where: Base-Base interactions energy: -1020.053 where: short stacking energy: -513.443 Base-Backbone interact. energy: -2.486 local terms energy: -656.799249 where: bonds (distance) C4'-P energy: -140.115 bonds (distance) P-C4' energy: -159.759 flat angles C4'-P-C4' energy: -158.915 flat angles P-C4'-P energy: -93.275 tors. eta vs tors. theta energy: -104.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1599.904175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.904175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.904175 (E_RNA) where: Base-Base interactions energy: -1009.160 where: short stacking energy: -519.415 Base-Backbone interact. energy: -0.812 local terms energy: -589.932395 where: bonds (distance) C4'-P energy: -141.358 bonds (distance) P-C4' energy: -134.899 flat angles C4'-P-C4' energy: -122.945 flat angles P-C4'-P energy: -99.619 tors. eta vs tors. theta energy: -91.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1405.589812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.589812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.589812 (E_RNA) where: Base-Base interactions energy: -847.041 where: short stacking energy: -456.190 Base-Backbone interact. energy: -1.185 local terms energy: -557.363985 where: bonds (distance) C4'-P energy: -135.833 bonds (distance) P-C4' energy: -141.881 flat angles C4'-P-C4' energy: -139.980 flat angles P-C4'-P energy: -69.714 tors. eta vs tors. theta energy: -69.955 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: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1316.400911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.400911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.400911 (E_RNA) where: Base-Base interactions energy: -772.380 where: short stacking energy: -430.411 Base-Backbone interact. energy: -0.216 local terms energy: -543.804862 where: bonds (distance) C4'-P energy: -121.452 bonds (distance) P-C4' energy: -138.756 flat angles C4'-P-C4' energy: -133.294 flat angles P-C4'-P energy: -84.759 tors. eta vs tors. theta energy: -65.544 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: 1 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1070.061105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.061105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.061105 (E_RNA) where: Base-Base interactions energy: -596.171 where: short stacking energy: -349.554 Base-Backbone interact. energy: 5.698 local terms energy: -479.588902 where: bonds (distance) C4'-P energy: -117.060 bonds (distance) P-C4' energy: -134.521 flat angles C4'-P-C4' energy: -127.769 flat angles P-C4'-P energy: -72.277 tors. eta vs tors. theta energy: -27.962 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: 21 Temperature: 1.350000 Total energy: -782.504112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.504112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.504112 (E_RNA) where: Base-Base interactions energy: -382.025 where: short stacking energy: -256.958 Base-Backbone interact. energy: -0.294 local terms energy: -400.184863 where: bonds (distance) C4'-P energy: -114.637 bonds (distance) P-C4' energy: -134.618 flat angles C4'-P-C4' energy: -115.397 flat angles P-C4'-P energy: -59.718 tors. eta vs tors. theta energy: 24.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 6 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2164.022444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.022444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.022444 (E_RNA) where: Base-Base interactions energy: -1414.844 where: short stacking energy: -683.332 Base-Backbone interact. energy: -3.261 local terms energy: -745.917209 where: bonds (distance) C4'-P energy: -163.661 bonds (distance) P-C4' energy: -153.503 flat angles C4'-P-C4' energy: -166.782 flat angles P-C4'-P energy: -105.143 tors. eta vs tors. theta energy: -156.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2082.568706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.568706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.568706 (E_RNA) where: Base-Base interactions energy: -1360.359 where: short stacking energy: -717.828 Base-Backbone interact. energy: -1.543 local terms energy: -720.667420 where: bonds (distance) C4'-P energy: -146.272 bonds (distance) P-C4' energy: -142.492 flat angles C4'-P-C4' energy: -175.770 flat angles P-C4'-P energy: -102.102 tors. eta vs tors. theta energy: -154.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1835.002001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.002001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.002001 (E_RNA) where: Base-Base interactions energy: -1172.582 where: short stacking energy: -575.126 Base-Backbone interact. energy: -6.302 local terms energy: -656.118067 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -156.502 flat angles C4'-P-C4' energy: -159.856 flat angles P-C4'-P energy: -104.472 tors. eta vs tors. theta energy: -104.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1708.446986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.446986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.446986 (E_RNA) where: Base-Base interactions energy: -1074.039 where: short stacking energy: -566.186 Base-Backbone interact. energy: -1.941 local terms energy: -632.467112 where: bonds (distance) C4'-P energy: -124.186 bonds (distance) P-C4' energy: -144.455 flat angles C4'-P-C4' energy: -164.540 flat angles P-C4'-P energy: -85.504 tors. eta vs tors. theta energy: -113.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1656.842027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.842027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.842027 (E_RNA) where: Base-Base interactions energy: -1035.464 where: short stacking energy: -512.058 Base-Backbone interact. energy: -0.852 local terms energy: -620.526083 where: bonds (distance) C4'-P energy: -141.660 bonds (distance) P-C4' energy: -141.780 flat angles C4'-P-C4' energy: -138.215 flat angles P-C4'-P energy: -83.327 tors. eta vs tors. theta energy: -115.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1429.593526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.593526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.593526 (E_RNA) where: Base-Base interactions energy: -848.022 where: short stacking energy: -472.875 Base-Backbone interact. energy: -4.736 local terms energy: -576.835666 where: bonds (distance) C4'-P energy: -131.087 bonds (distance) P-C4' energy: -159.878 flat angles C4'-P-C4' energy: -137.788 flat angles P-C4'-P energy: -79.010 tors. eta vs tors. theta energy: -69.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1310.931371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.931371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.931371 (E_RNA) where: Base-Base interactions energy: -763.442 where: short stacking energy: -408.440 Base-Backbone interact. energy: 1.108 local terms energy: -548.597235 where: bonds (distance) C4'-P energy: -130.302 bonds (distance) P-C4' energy: -139.068 flat angles C4'-P-C4' energy: -129.900 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -59.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1066.180362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.180362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.180362 (E_RNA) where: Base-Base interactions energy: -627.912 where: short stacking energy: -329.707 Base-Backbone interact. energy: -0.549 local terms energy: -437.719591 where: bonds (distance) C4'-P energy: -106.048 bonds (distance) P-C4' energy: -128.584 flat angles C4'-P-C4' energy: -126.398 flat angles P-C4'-P energy: -61.296 tors. eta vs tors. theta energy: -15.394 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: 5 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -749.662662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.662662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.662662 (E_RNA) where: Base-Base interactions energy: -343.020 where: short stacking energy: -213.108 Base-Backbone interact. energy: -3.058 local terms energy: -403.584689 where: bonds (distance) C4'-P energy: -135.737 bonds (distance) P-C4' energy: -131.467 flat angles C4'-P-C4' energy: -102.193 flat angles P-C4'-P energy: -48.985 tors. eta vs tors. theta energy: 14.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2156.699772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.699772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.699772 (E_RNA) where: Base-Base interactions energy: -1423.146 where: short stacking energy: -649.682 Base-Backbone interact. energy: 2.105 local terms energy: -735.658685 where: bonds (distance) C4'-P energy: -157.112 bonds (distance) P-C4' energy: -159.287 flat angles C4'-P-C4' energy: -157.529 flat angles P-C4'-P energy: -106.225 tors. eta vs tors. theta energy: -155.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2143.425398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.425398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.425398 (E_RNA) where: Base-Base interactions energy: -1396.675 where: short stacking energy: -737.311 Base-Backbone interact. energy: -5.470 local terms energy: -741.280091 where: bonds (distance) C4'-P energy: -124.855 bonds (distance) P-C4' energy: -153.995 flat angles C4'-P-C4' energy: -164.564 flat angles P-C4'-P energy: -110.851 tors. eta vs tors. theta energy: -187.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1899.064613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.064613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.064613 (E_RNA) where: Base-Base interactions energy: -1232.174 where: short stacking energy: -650.616 Base-Backbone interact. energy: 0.138 local terms energy: -667.029018 where: bonds (distance) C4'-P energy: -131.010 bonds (distance) P-C4' energy: -148.917 flat angles C4'-P-C4' energy: -160.104 flat angles P-C4'-P energy: -74.198 tors. eta vs tors. theta energy: -152.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1703.883235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.883235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.883235 (E_RNA) where: Base-Base interactions energy: -1054.957 where: short stacking energy: -557.975 Base-Backbone interact. energy: -2.100 local terms energy: -646.827001 where: bonds (distance) C4'-P energy: -137.874 bonds (distance) P-C4' energy: -141.875 flat angles C4'-P-C4' energy: -149.509 flat angles P-C4'-P energy: -99.848 tors. eta vs tors. theta energy: -117.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1682.162301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.162301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.162301 (E_RNA) where: Base-Base interactions energy: -1065.253 where: short stacking energy: -584.504 Base-Backbone interact. energy: 3.865 local terms energy: -620.773798 where: bonds (distance) C4'-P energy: -126.057 bonds (distance) P-C4' energy: -109.419 flat angles C4'-P-C4' energy: -153.992 flat angles P-C4'-P energy: -97.725 tors. eta vs tors. theta energy: -133.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1454.734355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.734355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.734355 (E_RNA) where: Base-Base interactions energy: -862.193 where: short stacking energy: -455.761 Base-Backbone interact. energy: -2.236 local terms energy: -590.305734 where: bonds (distance) C4'-P energy: -142.318 bonds (distance) P-C4' energy: -132.564 flat angles C4'-P-C4' energy: -136.716 flat angles P-C4'-P energy: -95.135 tors. eta vs tors. theta energy: -83.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1304.383927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.383927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.383927 (E_RNA) where: Base-Base interactions energy: -750.848 where: short stacking energy: -400.665 Base-Backbone interact. energy: -0.103 local terms energy: -553.432232 where: bonds (distance) C4'-P energy: -145.135 bonds (distance) P-C4' energy: -128.974 flat angles C4'-P-C4' energy: -129.606 flat angles P-C4'-P energy: -86.725 tors. eta vs tors. theta energy: -62.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1038.896826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.896826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.896826 (E_RNA) where: Base-Base interactions energy: -555.723 where: short stacking energy: -328.008 Base-Backbone interact. energy: -0.340 local terms energy: -482.833768 where: bonds (distance) C4'-P energy: -115.908 bonds (distance) P-C4' energy: -149.745 flat angles C4'-P-C4' energy: -102.248 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -42.192 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: 23 Temperature: 1.350000 Total energy: -792.849697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.849697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.849697 (E_RNA) where: Base-Base interactions energy: -393.057 where: short stacking energy: -249.742 Base-Backbone interact. energy: -2.422 local terms energy: -397.370833 where: bonds (distance) C4'-P energy: -111.204 bonds (distance) P-C4' energy: -131.634 flat angles C4'-P-C4' energy: -103.931 flat angles P-C4'-P energy: -74.825 tors. eta vs tors. theta energy: 24.223 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: 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: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2213.866269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.866269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.866269 (E_RNA) where: Base-Base interactions energy: -1457.174 where: short stacking energy: -702.136 Base-Backbone interact. energy: -2.806 local terms energy: -753.887000 where: bonds (distance) C4'-P energy: -151.455 bonds (distance) P-C4' energy: -172.844 flat angles C4'-P-C4' energy: -167.961 flat angles P-C4'-P energy: -94.202 tors. eta vs tors. theta energy: -167.426 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2261.140699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.140699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.140699 (E_RNA) where: Base-Base interactions energy: -1526.566 where: short stacking energy: -693.553 Base-Backbone interact. energy: -2.870 local terms energy: -731.704492 where: bonds (distance) C4'-P energy: -167.824 bonds (distance) P-C4' energy: -145.711 flat angles C4'-P-C4' energy: -148.042 flat angles P-C4'-P energy: -106.294 tors. eta vs tors. theta energy: -163.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1881.922480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.922480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.922480 (E_RNA) where: Base-Base interactions energy: -1197.652 where: short stacking energy: -609.927 Base-Backbone interact. energy: 0.282 local terms energy: -684.552178 where: bonds (distance) C4'-P energy: -146.543 bonds (distance) P-C4' energy: -157.032 flat angles C4'-P-C4' energy: -160.761 flat angles P-C4'-P energy: -105.995 tors. eta vs tors. theta energy: -114.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1822.681104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.681104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.681104 (E_RNA) where: Base-Base interactions energy: -1178.101 where: short stacking energy: -573.232 Base-Backbone interact. energy: -2.292 local terms energy: -642.288166 where: bonds (distance) C4'-P energy: -131.654 bonds (distance) P-C4' energy: -157.746 flat angles C4'-P-C4' energy: -153.217 flat angles P-C4'-P energy: -83.181 tors. eta vs tors. theta energy: -116.490 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: 6, replica: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1652.310442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.310442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.310442 (E_RNA) where: Base-Base interactions energy: -1040.043 where: short stacking energy: -538.505 Base-Backbone interact. energy: -3.896 local terms energy: -608.371417 where: bonds (distance) C4'-P energy: -124.148 bonds (distance) P-C4' energy: -136.357 flat angles C4'-P-C4' energy: -135.551 flat angles P-C4'-P energy: -93.911 tors. eta vs tors. theta energy: -118.405 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: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1447.336894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.336894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.336894 (E_RNA) where: Base-Base interactions energy: -863.148 where: short stacking energy: -457.957 Base-Backbone interact. energy: 3.269 local terms energy: -587.457614 where: bonds (distance) C4'-P energy: -129.409 bonds (distance) P-C4' energy: -130.444 flat angles C4'-P-C4' energy: -153.361 flat angles P-C4'-P energy: -93.893 tors. eta vs tors. theta energy: -80.349 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: 24 Temperature: 1.250000 Total energy: -1414.500062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.500062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.500062 (E_RNA) where: Base-Base interactions energy: -876.022 where: short stacking energy: -423.072 Base-Backbone interact. energy: 3.868 local terms energy: -542.345646 where: bonds (distance) C4'-P energy: -134.613 bonds (distance) P-C4' energy: -121.128 flat angles C4'-P-C4' energy: -148.164 flat angles P-C4'-P energy: -73.580 tors. eta vs tors. theta energy: -64.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -946.318742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.318742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.318742 (E_RNA) where: Base-Base interactions energy: -473.738 where: short stacking energy: -273.338 Base-Backbone interact. energy: 1.239 local terms energy: -473.819460 where: bonds (distance) C4'-P energy: -114.942 bonds (distance) P-C4' energy: -154.040 flat angles C4'-P-C4' energy: -124.932 flat angles P-C4'-P energy: -92.160 tors. eta vs tors. theta energy: 12.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -851.391080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.391080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.391080 (E_RNA) where: Base-Base interactions energy: -417.944 where: short stacking energy: -281.226 Base-Backbone interact. energy: 2.546 local terms energy: -435.993743 where: bonds (distance) C4'-P energy: -111.230 bonds (distance) P-C4' energy: -128.657 flat angles C4'-P-C4' energy: -129.192 flat angles P-C4'-P energy: -68.106 tors. eta vs tors. theta energy: 1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -2353.935963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.935963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.935963 (E_RNA) where: Base-Base interactions energy: -1603.760 where: short stacking energy: -723.810 Base-Backbone interact. energy: -1.634 local terms energy: -748.541522 where: bonds (distance) C4'-P energy: -162.033 bonds (distance) P-C4' energy: -160.922 flat angles C4'-P-C4' energy: -163.973 flat angles P-C4'-P energy: -92.437 tors. eta vs tors. theta energy: -169.176 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: 6 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2178.874660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.874660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.874660 (E_RNA) where: Base-Base interactions energy: -1459.401 where: short stacking energy: -691.786 Base-Backbone interact. energy: -0.542 local terms energy: -718.931279 where: bonds (distance) C4'-P energy: -152.768 bonds (distance) P-C4' energy: -156.403 flat angles C4'-P-C4' energy: -145.905 flat angles P-C4'-P energy: -104.206 tors. eta vs tors. theta energy: -159.650 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: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1941.884024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.884024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.884024 (E_RNA) where: Base-Base interactions energy: -1239.081 where: short stacking energy: -602.372 Base-Backbone interact. energy: -0.890 local terms energy: -701.912511 where: bonds (distance) C4'-P energy: -151.938 bonds (distance) P-C4' energy: -160.837 flat angles C4'-P-C4' energy: -159.222 flat angles P-C4'-P energy: -89.424 tors. eta vs tors. theta energy: -140.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1843.159933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.159933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.159933 (E_RNA) where: Base-Base interactions energy: -1195.752 where: short stacking energy: -568.216 Base-Backbone interact. energy: -2.420 local terms energy: -644.988648 where: bonds (distance) C4'-P energy: -142.930 bonds (distance) P-C4' energy: -140.454 flat angles C4'-P-C4' energy: -141.370 flat angles P-C4'-P energy: -90.948 tors. eta vs tors. theta energy: -129.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1611.793977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.793977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.793977 (E_RNA) where: Base-Base interactions energy: -994.522 where: short stacking energy: -500.984 Base-Backbone interact. energy: 3.821 local terms energy: -621.092863 where: bonds (distance) C4'-P energy: -149.999 bonds (distance) P-C4' energy: -151.664 flat angles C4'-P-C4' energy: -144.856 flat angles P-C4'-P energy: -76.683 tors. eta vs tors. theta energy: -97.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1445.126167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.126167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.126167 (E_RNA) where: Base-Base interactions energy: -883.198 where: short stacking energy: -440.024 Base-Backbone interact. energy: 1.300 local terms energy: -563.228238 where: bonds (distance) C4'-P energy: -122.321 bonds (distance) P-C4' energy: -129.245 flat angles C4'-P-C4' energy: -139.143 flat angles P-C4'-P energy: -95.679 tors. eta vs tors. theta energy: -76.840 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: 25 Temperature: 1.250000 Total energy: -1406.098484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.098484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.098484 (E_RNA) where: Base-Base interactions energy: -846.717 where: short stacking energy: -440.798 Base-Backbone interact. energy: 0.082 local terms energy: -559.463299 where: bonds (distance) C4'-P energy: -137.935 bonds (distance) P-C4' energy: -158.273 flat angles C4'-P-C4' energy: -98.194 flat angles P-C4'-P energy: -84.922 tors. eta vs tors. theta energy: -80.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -944.362935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.362935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.362935 (E_RNA) where: Base-Base interactions energy: -475.796 where: short stacking energy: -302.763 Base-Backbone interact. energy: 3.875 local terms energy: -472.441970 where: bonds (distance) C4'-P energy: -125.929 bonds (distance) P-C4' energy: -123.472 flat angles C4'-P-C4' energy: -112.917 flat angles P-C4'-P energy: -91.602 tors. eta vs tors. theta energy: -18.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -795.507776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.507776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.507776 (E_RNA) where: Base-Base interactions energy: -380.877 where: short stacking energy: -243.210 Base-Backbone interact. energy: -1.071 local terms energy: -413.559208 where: bonds (distance) C4'-P energy: -111.909 bonds (distance) P-C4' energy: -123.438 flat angles C4'-P-C4' energy: -112.677 flat angles P-C4'-P energy: -60.813 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -2334.375513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.375513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.375513 (E_RNA) where: Base-Base interactions energy: -1575.281 where: short stacking energy: -738.609 Base-Backbone interact. energy: -3.427 local terms energy: -755.666845 where: bonds (distance) C4'-P energy: -153.930 bonds (distance) P-C4' energy: -155.740 flat angles C4'-P-C4' energy: -169.543 flat angles P-C4'-P energy: -104.390 tors. eta vs tors. theta energy: -172.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2227.063875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.063875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.063875 (E_RNA) where: Base-Base interactions energy: -1450.913 where: short stacking energy: -705.473 Base-Backbone interact. energy: -6.377 local terms energy: -769.774387 where: bonds (distance) C4'-P energy: -143.047 bonds (distance) P-C4' energy: -164.562 flat angles C4'-P-C4' energy: -187.433 flat angles P-C4'-P energy: -106.473 tors. eta vs tors. theta energy: -168.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1911.338310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.338310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.338310 (E_RNA) where: Base-Base interactions energy: -1224.396 where: short stacking energy: -581.450 Base-Backbone interact. energy: -4.006 local terms energy: -682.936402 where: bonds (distance) C4'-P energy: -143.256 bonds (distance) P-C4' energy: -147.905 flat angles C4'-P-C4' energy: -182.593 flat angles P-C4'-P energy: -92.772 tors. eta vs tors. theta energy: -116.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1855.041490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.041490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.041490 (E_RNA) where: Base-Base interactions energy: -1168.007 where: short stacking energy: -565.128 Base-Backbone interact. energy: -0.959 local terms energy: -686.075825 where: bonds (distance) C4'-P energy: -135.971 bonds (distance) P-C4' energy: -146.212 flat angles C4'-P-C4' energy: -156.455 flat angles P-C4'-P energy: -116.705 tors. eta vs tors. theta energy: -130.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1580.212298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.212298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.212298 (E_RNA) where: Base-Base interactions energy: -995.512 where: short stacking energy: -518.443 Base-Backbone interact. energy: 1.426 local terms energy: -586.127001 where: bonds (distance) C4'-P energy: -131.118 bonds (distance) P-C4' energy: -149.597 flat angles C4'-P-C4' energy: -134.615 flat angles P-C4'-P energy: -65.058 tors. eta vs tors. theta energy: -105.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1387.282417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.282417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.282417 (E_RNA) where: Base-Base interactions energy: -848.404 where: short stacking energy: -412.750 Base-Backbone interact. energy: -2.072 local terms energy: -536.805639 where: bonds (distance) C4'-P energy: -116.775 bonds (distance) P-C4' energy: -133.092 flat angles C4'-P-C4' energy: -147.707 flat angles P-C4'-P energy: -84.005 tors. eta vs tors. theta energy: -55.226 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: 26 Temperature: 1.250000 Total energy: -1329.021474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.021474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.021474 (E_RNA) where: Base-Base interactions energy: -807.005 where: short stacking energy: -395.994 Base-Backbone interact. energy: 5.900 local terms energy: -527.916970 where: bonds (distance) C4'-P energy: -132.418 bonds (distance) P-C4' energy: -108.066 flat angles C4'-P-C4' energy: -143.610 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -63.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -994.565408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.565408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.565408 (E_RNA) where: Base-Base interactions energy: -538.310 where: short stacking energy: -317.053 Base-Backbone interact. energy: -0.532 local terms energy: -455.723771 where: bonds (distance) C4'-P energy: -113.439 bonds (distance) P-C4' energy: -105.130 flat angles C4'-P-C4' energy: -146.895 flat angles P-C4'-P energy: -70.106 tors. eta vs tors. theta energy: -20.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -910.326678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.326678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.326678 (E_RNA) where: Base-Base interactions energy: -456.549 where: short stacking energy: -285.850 Base-Backbone interact. energy: 0.090 local terms energy: -453.867201 where: bonds (distance) C4'-P energy: -136.029 bonds (distance) P-C4' energy: -135.554 flat angles C4'-P-C4' energy: -101.931 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -11.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: -2347.235853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.235853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.235853 (E_RNA) where: Base-Base interactions energy: -1589.380 where: short stacking energy: -767.150 Base-Backbone interact. energy: -4.485 local terms energy: -753.370895 where: bonds (distance) C4'-P energy: -157.168 bonds (distance) P-C4' energy: -146.864 flat angles C4'-P-C4' energy: -168.402 flat angles P-C4'-P energy: -112.986 tors. eta vs tors. theta energy: -167.951 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: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2190.353427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.353427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.353427 (E_RNA) where: Base-Base interactions energy: -1459.936 where: short stacking energy: -678.842 Base-Backbone interact. energy: -3.161 local terms energy: -727.255909 where: bonds (distance) C4'-P energy: -134.678 bonds (distance) P-C4' energy: -164.461 flat angles C4'-P-C4' energy: -158.029 flat angles P-C4'-P energy: -106.004 tors. eta vs tors. theta energy: -164.084 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: 27 Temperature: 1.050000 Total energy: -2016.944973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.944973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.944973 (E_RNA) where: Base-Base interactions energy: -1337.416 where: short stacking energy: -626.655 Base-Backbone interact. energy: -3.848 local terms energy: -675.681351 where: bonds (distance) C4'-P energy: -129.581 bonds (distance) P-C4' energy: -149.555 flat angles C4'-P-C4' energy: -153.681 flat angles P-C4'-P energy: -98.477 tors. eta vs tors. theta energy: -144.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1914.080104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.080104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.080104 (E_RNA) where: Base-Base interactions energy: -1239.796 where: short stacking energy: -595.598 Base-Backbone interact. energy: -3.652 local terms energy: -670.632711 where: bonds (distance) C4'-P energy: -140.076 bonds (distance) P-C4' energy: -139.388 flat angles C4'-P-C4' energy: -161.372 flat angles P-C4'-P energy: -103.023 tors. eta vs tors. theta energy: -126.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1540.900312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.900312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.900312 (E_RNA) where: Base-Base interactions energy: -936.109 where: short stacking energy: -491.908 Base-Backbone interact. energy: 3.817 local terms energy: -608.608612 where: bonds (distance) C4'-P energy: -136.277 bonds (distance) P-C4' energy: -148.384 flat angles C4'-P-C4' energy: -127.408 flat angles P-C4'-P energy: -94.918 tors. eta vs tors. theta energy: -101.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1406.480363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.480363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.480363 (E_RNA) where: Base-Base interactions energy: -833.602 where: short stacking energy: -403.944 Base-Backbone interact. energy: -1.233 local terms energy: -571.645522 where: bonds (distance) C4'-P energy: -140.941 bonds (distance) P-C4' energy: -142.555 flat angles C4'-P-C4' energy: -143.314 flat angles P-C4'-P energy: -80.947 tors. eta vs tors. theta energy: -63.889 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: 27 Temperature: 1.250000 Total energy: -1288.164192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.164192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.164192 (E_RNA) where: Base-Base interactions energy: -785.912 where: short stacking energy: -373.694 Base-Backbone interact. energy: -2.567 local terms energy: -499.685057 where: bonds (distance) C4'-P energy: -126.426 bonds (distance) P-C4' energy: -120.105 flat angles C4'-P-C4' energy: -124.616 flat angles P-C4'-P energy: -83.851 tors. eta vs tors. theta energy: -44.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -904.871592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.871592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.871592 (E_RNA) where: Base-Base interactions energy: -483.966 where: short stacking energy: -296.637 Base-Backbone interact. energy: 4.960 local terms energy: -425.866046 where: bonds (distance) C4'-P energy: -118.876 bonds (distance) P-C4' energy: -148.956 flat angles C4'-P-C4' energy: -95.372 flat angles P-C4'-P energy: -45.896 tors. eta vs tors. theta energy: -16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -873.785307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.785307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.785307 (E_RNA) where: Base-Base interactions energy: -454.776 where: short stacking energy: -286.713 Base-Backbone interact. energy: 1.745 local terms energy: -420.755005 where: bonds (distance) C4'-P energy: -136.869 bonds (distance) P-C4' energy: -106.419 flat angles C4'-P-C4' energy: -108.171 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: 4.392 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: 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: -2329.699459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.699459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.699459 (E_RNA) where: Base-Base interactions energy: -1579.965 where: short stacking energy: -714.325 Base-Backbone interact. energy: -2.729 local terms energy: -747.005197 where: bonds (distance) C4'-P energy: -165.664 bonds (distance) P-C4' energy: -146.728 flat angles C4'-P-C4' energy: -171.087 flat angles P-C4'-P energy: -99.009 tors. eta vs tors. theta energy: -164.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2151.254794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.254794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.254794 (E_RNA) where: Base-Base interactions energy: -1400.686 where: short stacking energy: -682.196 Base-Backbone interact. energy: -4.234 local terms energy: -746.334466 where: bonds (distance) C4'-P energy: -142.869 bonds (distance) P-C4' energy: -157.483 flat angles C4'-P-C4' energy: -182.580 flat angles P-C4'-P energy: -108.341 tors. eta vs tors. theta energy: -155.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1984.975941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.975941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.975941 (E_RNA) where: Base-Base interactions energy: -1291.605 where: short stacking energy: -666.569 Base-Backbone interact. energy: 2.697 local terms energy: -696.067176 where: bonds (distance) C4'-P energy: -131.373 bonds (distance) P-C4' energy: -152.768 flat angles C4'-P-C4' energy: -157.375 flat angles P-C4'-P energy: -95.178 tors. eta vs tors. theta energy: -159.374 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: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1896.352838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.352838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.352838 (E_RNA) where: Base-Base interactions energy: -1244.103 where: short stacking energy: -607.597 Base-Backbone interact. energy: 0.281 local terms energy: -652.531181 where: bonds (distance) C4'-P energy: -145.602 bonds (distance) P-C4' energy: -143.182 flat angles C4'-P-C4' energy: -151.170 flat angles P-C4'-P energy: -90.915 tors. eta vs tors. theta energy: -121.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1503.888931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.888931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.888931 (E_RNA) where: Base-Base interactions energy: -921.829 where: short stacking energy: -517.548 Base-Backbone interact. energy: 0.652 local terms energy: -582.712391 where: bonds (distance) C4'-P energy: -116.972 bonds (distance) P-C4' energy: -157.580 flat angles C4'-P-C4' energy: -150.874 flat angles P-C4'-P energy: -70.578 tors. eta vs tors. theta energy: -86.708 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: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1530.388262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.388262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.388262 (E_RNA) where: Base-Base interactions energy: -957.387 where: short stacking energy: -469.902 Base-Backbone interact. energy: 3.468 local terms energy: -576.469504 where: bonds (distance) C4'-P energy: -133.185 bonds (distance) P-C4' energy: -150.136 flat angles C4'-P-C4' energy: -129.764 flat angles P-C4'-P energy: -85.761 tors. eta vs tors. theta energy: -77.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1319.902720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.902720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.902720 (E_RNA) where: Base-Base interactions energy: -741.547 where: short stacking energy: -378.962 Base-Backbone interact. energy: -1.772 local terms energy: -576.583940 where: bonds (distance) C4'-P energy: -133.161 bonds (distance) P-C4' energy: -134.012 flat angles C4'-P-C4' energy: -151.910 flat angles P-C4'-P energy: -98.088 tors. eta vs tors. theta energy: -59.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1121.184497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.184497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.184497 (E_RNA) where: Base-Base interactions energy: -645.855 where: short stacking energy: -315.340 Base-Backbone interact. energy: -2.088 local terms energy: -473.241292 where: bonds (distance) C4'-P energy: -144.512 bonds (distance) P-C4' energy: -126.554 flat angles C4'-P-C4' energy: -116.787 flat angles P-C4'-P energy: -61.254 tors. eta vs tors. theta energy: -24.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -838.655035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.655035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.655035 (E_RNA) where: Base-Base interactions energy: -408.032 where: short stacking energy: -234.278 Base-Backbone interact. energy: -0.243 local terms energy: -430.379461 where: bonds (distance) C4'-P energy: -117.915 bonds (distance) P-C4' energy: -127.883 flat angles C4'-P-C4' energy: -111.841 flat angles P-C4'-P energy: -86.711 tors. eta vs tors. theta energy: 13.971 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: 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: -2302.005431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.005431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.005431 (E_RNA) where: Base-Base interactions energy: -1529.277 where: short stacking energy: -725.251 Base-Backbone interact. energy: -1.799 local terms energy: -770.929857 where: bonds (distance) C4'-P energy: -162.805 bonds (distance) P-C4' energy: -160.962 flat angles C4'-P-C4' energy: -169.756 flat angles P-C4'-P energy: -119.351 tors. eta vs tors. theta energy: -158.056 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: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2159.480587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.480587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.480587 (E_RNA) where: Base-Base interactions energy: -1449.461 where: short stacking energy: -669.848 Base-Backbone interact. energy: 0.216 local terms energy: -710.236117 where: bonds (distance) C4'-P energy: -147.735 bonds (distance) P-C4' energy: -156.773 flat angles C4'-P-C4' energy: -164.316 flat angles P-C4'-P energy: -100.090 tors. eta vs tors. theta energy: -141.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1991.869797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.869797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.869797 (E_RNA) where: Base-Base interactions energy: -1273.519 where: short stacking energy: -625.577 Base-Backbone interact. energy: -1.759 local terms energy: -716.591961 where: bonds (distance) C4'-P energy: -147.328 bonds (distance) P-C4' energy: -159.961 flat angles C4'-P-C4' energy: -163.963 flat angles P-C4'-P energy: -105.104 tors. eta vs tors. theta energy: -140.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1867.778182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.778182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.778182 (E_RNA) where: Base-Base interactions energy: -1193.855 where: short stacking energy: -563.548 Base-Backbone interact. energy: -1.857 local terms energy: -672.065702 where: bonds (distance) C4'-P energy: -159.141 bonds (distance) P-C4' energy: -146.253 flat angles C4'-P-C4' energy: -153.432 flat angles P-C4'-P energy: -82.685 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: 6, replica: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1646.800296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.800296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.800296 (E_RNA) where: Base-Base interactions energy: -1044.826 where: short stacking energy: -527.634 Base-Backbone interact. energy: -1.493 local terms energy: -600.480790 where: bonds (distance) C4'-P energy: -128.404 bonds (distance) P-C4' energy: -149.404 flat angles C4'-P-C4' energy: -156.772 flat angles P-C4'-P energy: -80.480 tors. eta vs tors. theta energy: -85.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1400.558895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.558895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.558895 (E_RNA) where: Base-Base interactions energy: -855.919 where: short stacking energy: -465.627 Base-Backbone interact. energy: 6.423 local terms energy: -551.062301 where: bonds (distance) C4'-P energy: -125.214 bonds (distance) P-C4' energy: -125.612 flat angles C4'-P-C4' energy: -146.542 flat angles P-C4'-P energy: -85.488 tors. eta vs tors. theta energy: -68.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1397.393114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.393114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.393114 (E_RNA) where: Base-Base interactions energy: -884.409 where: short stacking energy: -420.356 Base-Backbone interact. energy: -0.163 local terms energy: -512.821221 where: bonds (distance) C4'-P energy: -110.028 bonds (distance) P-C4' energy: -124.145 flat angles C4'-P-C4' energy: -143.930 flat angles P-C4'-P energy: -80.560 tors. eta vs tors. theta energy: -54.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1224.077144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.077144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.077144 (E_RNA) where: Base-Base interactions energy: -754.890 where: short stacking energy: -369.686 Base-Backbone interact. energy: 0.221 local terms energy: -469.408633 where: bonds (distance) C4'-P energy: -106.889 bonds (distance) P-C4' energy: -139.306 flat angles C4'-P-C4' energy: -97.125 flat angles P-C4'-P energy: -79.128 tors. eta vs tors. theta energy: -46.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -798.185750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.185750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.185750 (E_RNA) where: Base-Base interactions energy: -375.524 where: short stacking energy: -221.477 Base-Backbone interact. energy: 3.628 local terms energy: -426.290333 where: bonds (distance) C4'-P energy: -121.249 bonds (distance) P-C4' energy: -141.073 flat angles C4'-P-C4' energy: -120.444 flat angles P-C4'-P energy: -64.748 tors. eta vs tors. theta energy: 21.224 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: 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: -2342.115516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.115516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.115516 (E_RNA) where: Base-Base interactions energy: -1574.864 where: short stacking energy: -770.804 Base-Backbone interact. energy: 1.359 local terms energy: -768.610101 where: bonds (distance) C4'-P energy: -153.675 bonds (distance) P-C4' energy: -135.371 flat angles C4'-P-C4' energy: -183.118 flat angles P-C4'-P energy: -106.380 tors. eta vs tors. theta energy: -190.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2188.975557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.975557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.975557 (E_RNA) where: Base-Base interactions energy: -1471.088 where: short stacking energy: -627.473 Base-Backbone interact. energy: -5.744 local terms energy: -712.143140 where: bonds (distance) C4'-P energy: -158.786 bonds (distance) P-C4' energy: -152.650 flat angles C4'-P-C4' energy: -163.502 flat angles P-C4'-P energy: -106.792 tors. eta vs tors. theta energy: -130.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1985.079118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.079118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.079118 (E_RNA) where: Base-Base interactions energy: -1296.853 where: short stacking energy: -628.840 Base-Backbone interact. energy: -3.540 local terms energy: -684.686455 where: bonds (distance) C4'-P energy: -137.540 bonds (distance) P-C4' energy: -150.385 flat angles C4'-P-C4' energy: -165.308 flat angles P-C4'-P energy: -97.479 tors. eta vs tors. theta energy: -133.975 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: 30 Temperature: 1.100000 Total energy: -1994.814166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.814166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.814166 (E_RNA) where: Base-Base interactions energy: -1303.449 where: short stacking energy: -632.785 Base-Backbone interact. energy: 0.538 local terms energy: -691.902999 where: bonds (distance) C4'-P energy: -123.629 bonds (distance) P-C4' energy: -161.866 flat angles C4'-P-C4' energy: -163.532 flat angles P-C4'-P energy: -98.732 tors. eta vs tors. theta energy: -144.145 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: 6, replica: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1640.310124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.310124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.310124 (E_RNA) where: Base-Base interactions energy: -1018.590 where: short stacking energy: -489.313 Base-Backbone interact. energy: -4.864 local terms energy: -616.856141 where: bonds (distance) C4'-P energy: -138.140 bonds (distance) P-C4' energy: -147.594 flat angles C4'-P-C4' energy: -140.894 flat angles P-C4'-P energy: -90.428 tors. eta vs tors. theta energy: -99.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1545.602374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.602374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.602374 (E_RNA) where: Base-Base interactions energy: -994.998 where: short stacking energy: -468.687 Base-Backbone interact. energy: 0.560 local terms energy: -551.164021 where: bonds (distance) C4'-P energy: -115.127 bonds (distance) P-C4' energy: -146.440 flat angles C4'-P-C4' energy: -134.467 flat angles P-C4'-P energy: -86.420 tors. eta vs tors. theta energy: -68.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1351.649854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.649854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.649854 (E_RNA) where: Base-Base interactions energy: -835.251 where: short stacking energy: -398.009 Base-Backbone interact. energy: -4.055 local terms energy: -512.344247 where: bonds (distance) C4'-P energy: -125.828 bonds (distance) P-C4' energy: -120.828 flat angles C4'-P-C4' energy: -126.284 flat angles P-C4'-P energy: -77.242 tors. eta vs tors. theta energy: -62.162 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: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1239.895664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.895664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.895664 (E_RNA) where: Base-Base interactions energy: -775.360 where: short stacking energy: -372.834 Base-Backbone interact. energy: 8.008 local terms energy: -472.543566 where: bonds (distance) C4'-P energy: -117.095 bonds (distance) P-C4' energy: -136.587 flat angles C4'-P-C4' energy: -122.092 flat angles P-C4'-P energy: -57.346 tors. eta vs tors. theta energy: -39.424 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: 30 Temperature: 1.350000 Total energy: -924.640143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.640143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.640143 (E_RNA) where: Base-Base interactions energy: -504.728 where: short stacking energy: -291.525 Base-Backbone interact. energy: 2.386 local terms energy: -422.297821 where: bonds (distance) C4'-P energy: -107.955 bonds (distance) P-C4' energy: -124.534 flat angles C4'-P-C4' energy: -107.187 flat angles P-C4'-P energy: -55.602 tors. eta vs tors. theta energy: -27.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -2332.646310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.646310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.646310 (E_RNA) where: Base-Base interactions energy: -1584.176 where: short stacking energy: -749.175 Base-Backbone interact. energy: 1.477 local terms energy: -749.947593 where: bonds (distance) C4'-P energy: -145.607 bonds (distance) P-C4' energy: -152.148 flat angles C4'-P-C4' energy: -174.090 flat angles P-C4'-P energy: -112.053 tors. eta vs tors. theta energy: -166.049 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: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2217.831928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.831928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.831928 (E_RNA) where: Base-Base interactions energy: -1482.257 where: short stacking energy: -637.266 Base-Backbone interact. energy: -6.813 local terms energy: -728.761561 where: bonds (distance) C4'-P energy: -170.370 bonds (distance) P-C4' energy: -155.938 flat angles C4'-P-C4' energy: -150.045 flat angles P-C4'-P energy: -108.870 tors. eta vs tors. theta energy: -143.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1967.493587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.493587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.493587 (E_RNA) where: Base-Base interactions energy: -1296.076 where: short stacking energy: -598.550 Base-Backbone interact. energy: -2.704 local terms energy: -668.713205 where: bonds (distance) C4'-P energy: -133.898 bonds (distance) P-C4' energy: -151.424 flat angles C4'-P-C4' energy: -152.239 flat angles P-C4'-P energy: -98.649 tors. eta vs tors. theta energy: -132.503 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: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1954.700576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.700576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.700576 (E_RNA) where: Base-Base interactions energy: -1301.929 where: short stacking energy: -616.602 Base-Backbone interact. energy: -3.716 local terms energy: -649.055122 where: bonds (distance) C4'-P energy: -126.969 bonds (distance) P-C4' energy: -136.245 flat angles C4'-P-C4' energy: -156.453 flat angles P-C4'-P energy: -99.869 tors. eta vs tors. theta energy: -129.520 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: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1707.222131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.222131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.222131 (E_RNA) where: Base-Base interactions energy: -1098.217 where: short stacking energy: -545.975 Base-Backbone interact. energy: -1.153 local terms energy: -607.852386 where: bonds (distance) C4'-P energy: -120.938 bonds (distance) P-C4' energy: -158.963 flat angles C4'-P-C4' energy: -149.870 flat angles P-C4'-P energy: -73.905 tors. eta vs tors. theta energy: -104.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1609.704903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.704903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.704903 (E_RNA) where: Base-Base interactions energy: -1029.123 where: short stacking energy: -501.114 Base-Backbone interact. energy: -1.404 local terms energy: -579.178077 where: bonds (distance) C4'-P energy: -134.440 bonds (distance) P-C4' energy: -137.945 flat angles C4'-P-C4' energy: -141.152 flat angles P-C4'-P energy: -74.165 tors. eta vs tors. theta energy: -91.476 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: 31 Temperature: 1.250000 Total energy: -1272.532490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.532490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.532490 (E_RNA) where: Base-Base interactions energy: -751.067 where: short stacking energy: -400.360 Base-Backbone interact. energy: 1.625 local terms energy: -523.091194 where: bonds (distance) C4'-P energy: -112.584 bonds (distance) P-C4' energy: -144.357 flat angles C4'-P-C4' energy: -132.671 flat angles P-C4'-P energy: -75.234 tors. eta vs tors. theta energy: -58.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1335.443299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.443299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.443299 (E_RNA) where: Base-Base interactions energy: -818.949 where: short stacking energy: -389.958 Base-Backbone interact. energy: 3.032 local terms energy: -519.525943 where: bonds (distance) C4'-P energy: -143.066 bonds (distance) P-C4' energy: -132.117 flat angles C4'-P-C4' energy: -118.232 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -47.826 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: 31 Temperature: 1.350000 Total energy: -831.463728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.463728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.463728 (E_RNA) where: Base-Base interactions energy: -402.640 where: short stacking energy: -242.692 Base-Backbone interact. energy: 0.568 local terms energy: -429.390869 where: bonds (distance) C4'-P energy: -128.292 bonds (distance) P-C4' energy: -144.315 flat angles C4'-P-C4' energy: -100.894 flat angles P-C4'-P energy: -62.333 tors. eta vs tors. theta energy: 6.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -2385.811462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.811462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.811462 (E_RNA) where: Base-Base interactions energy: -1601.055 where: short stacking energy: -728.115 Base-Backbone interact. energy: 0.525 local terms energy: -785.281373 where: bonds (distance) C4'-P energy: -154.327 bonds (distance) P-C4' energy: -173.007 flat angles C4'-P-C4' energy: -173.109 flat angles P-C4'-P energy: -115.146 tors. eta vs tors. theta energy: -169.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2197.876935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.876935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.876935 (E_RNA) where: Base-Base interactions energy: -1469.380 where: short stacking energy: -686.659 Base-Backbone interact. energy: -5.994 local terms energy: -722.502728 where: bonds (distance) C4'-P energy: -147.913 bonds (distance) P-C4' energy: -158.641 flat angles C4'-P-C4' energy: -175.496 flat angles P-C4'-P energy: -87.522 tors. eta vs tors. theta energy: -152.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2011.560825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.560825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.560825 (E_RNA) where: Base-Base interactions energy: -1320.429 where: short stacking energy: -644.040 Base-Backbone interact. energy: -4.408 local terms energy: -686.724184 where: bonds (distance) C4'-P energy: -148.988 bonds (distance) P-C4' energy: -155.335 flat angles C4'-P-C4' energy: -168.692 flat angles P-C4'-P energy: -78.672 tors. eta vs tors. theta energy: -135.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1980.646440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.646440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.646440 (E_RNA) where: Base-Base interactions energy: -1307.014 where: short stacking energy: -633.839 Base-Backbone interact. energy: 1.688 local terms energy: -675.320493 where: bonds (distance) C4'-P energy: -153.104 bonds (distance) P-C4' energy: -139.362 flat angles C4'-P-C4' energy: -134.604 flat angles P-C4'-P energy: -89.228 tors. eta vs tors. theta energy: -159.023 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: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1706.557382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.557382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.557382 (E_RNA) where: Base-Base interactions energy: -1139.428 where: short stacking energy: -543.181 Base-Backbone interact. energy: 0.555 local terms energy: -567.684820 where: bonds (distance) C4'-P energy: -140.627 bonds (distance) P-C4' energy: -132.207 flat angles C4'-P-C4' energy: -124.693 flat angles P-C4'-P energy: -72.267 tors. eta vs tors. theta energy: -97.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1661.386009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.386009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.386009 (E_RNA) where: Base-Base interactions energy: -1065.098 where: short stacking energy: -501.512 Base-Backbone interact. energy: -2.537 local terms energy: -593.751145 where: bonds (distance) C4'-P energy: -122.814 bonds (distance) P-C4' energy: -151.080 flat angles C4'-P-C4' energy: -134.861 flat angles P-C4'-P energy: -91.443 tors. eta vs tors. theta energy: -93.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1262.613031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.613031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.613031 (E_RNA) where: Base-Base interactions energy: -727.737 where: short stacking energy: -404.624 Base-Backbone interact. energy: -3.604 local terms energy: -531.271569 where: bonds (distance) C4'-P energy: -117.132 bonds (distance) P-C4' energy: -136.495 flat angles C4'-P-C4' energy: -141.874 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -62.991 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: 32 Temperature: 1.300000 Total energy: -1406.460585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.460585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.460585 (E_RNA) where: Base-Base interactions energy: -893.233 where: short stacking energy: -407.194 Base-Backbone interact. energy: -1.964 local terms energy: -511.263414 where: bonds (distance) C4'-P energy: -108.766 bonds (distance) P-C4' energy: -134.068 flat angles C4'-P-C4' energy: -142.377 flat angles P-C4'-P energy: -73.096 tors. eta vs tors. theta energy: -52.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -814.019352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.019352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.019352 (E_RNA) where: Base-Base interactions energy: -384.254 where: short stacking energy: -236.450 Base-Backbone interact. energy: -4.319 local terms energy: -425.446960 where: bonds (distance) C4'-P energy: -130.242 bonds (distance) P-C4' energy: -132.262 flat angles C4'-P-C4' energy: -115.164 flat angles P-C4'-P energy: -46.919 tors. eta vs tors. theta energy: -0.860 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: 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: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2394.420429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.420429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.420429 (E_RNA) where: Base-Base interactions energy: -1613.113 where: short stacking energy: -751.591 Base-Backbone interact. energy: 5.801 local terms energy: -787.107891 where: bonds (distance) C4'-P energy: -159.141 bonds (distance) P-C4' energy: -156.458 flat angles C4'-P-C4' energy: -188.683 flat angles P-C4'-P energy: -117.839 tors. eta vs tors. theta energy: -164.988 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: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2206.347067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.347067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.347067 (E_RNA) where: Base-Base interactions energy: -1523.157 where: short stacking energy: -679.654 Base-Backbone interact. energy: 1.868 local terms energy: -685.058570 where: bonds (distance) C4'-P energy: -117.747 bonds (distance) P-C4' energy: -160.936 flat angles C4'-P-C4' energy: -155.196 flat angles P-C4'-P energy: -105.044 tors. eta vs tors. theta energy: -146.135 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: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2123.099712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.099712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.099712 (E_RNA) where: Base-Base interactions energy: -1434.790 where: short stacking energy: -636.616 Base-Backbone interact. energy: -1.246 local terms energy: -687.063974 where: bonds (distance) C4'-P energy: -143.788 bonds (distance) P-C4' energy: -145.576 flat angles C4'-P-C4' energy: -153.242 flat angles P-C4'-P energy: -85.874 tors. eta vs tors. theta energy: -158.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1913.615868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.615868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.615868 (E_RNA) where: Base-Base interactions energy: -1261.620 where: short stacking energy: -592.730 Base-Backbone interact. energy: 1.575 local terms energy: -653.571086 where: bonds (distance) C4'-P energy: -144.870 bonds (distance) P-C4' energy: -136.984 flat angles C4'-P-C4' energy: -147.379 flat angles P-C4'-P energy: -87.167 tors. eta vs tors. theta energy: -137.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1780.371855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.371855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.371855 (E_RNA) where: Base-Base interactions energy: -1193.685 where: short stacking energy: -546.723 Base-Backbone interact. energy: 3.208 local terms energy: -589.895190 where: bonds (distance) C4'-P energy: -129.962 bonds (distance) P-C4' energy: -123.803 flat angles C4'-P-C4' energy: -134.063 flat angles P-C4'-P energy: -98.059 tors. eta vs tors. theta energy: -104.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1715.016939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.016939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.016939 (E_RNA) where: Base-Base interactions energy: -1073.799 where: short stacking energy: -555.421 Base-Backbone interact. energy: -0.849 local terms energy: -640.369111 where: bonds (distance) C4'-P energy: -143.653 bonds (distance) P-C4' energy: -140.899 flat angles C4'-P-C4' energy: -142.441 flat angles P-C4'-P energy: -88.094 tors. eta vs tors. theta energy: -125.282 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: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1631.541003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.541003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.541003 (E_RNA) where: Base-Base interactions energy: -1085.735 where: short stacking energy: -515.191 Base-Backbone interact. energy: -0.196 local terms energy: -545.609888 where: bonds (distance) C4'-P energy: -115.513 bonds (distance) P-C4' energy: -119.940 flat angles C4'-P-C4' energy: -125.375 flat angles P-C4'-P energy: -91.841 tors. eta vs tors. theta energy: -92.941 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: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1171.400042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.400042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.400042 (E_RNA) where: Base-Base interactions energy: -690.792 where: short stacking energy: -378.830 Base-Backbone interact. energy: 3.269 local terms energy: -483.877382 where: bonds (distance) C4'-P energy: -132.245 bonds (distance) P-C4' energy: -138.014 flat angles C4'-P-C4' energy: -121.711 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -32.660 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: 33 Temperature: 1.350000 Total energy: -789.281431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.281431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.281431 (E_RNA) where: Base-Base interactions energy: -365.224 where: short stacking energy: -234.986 Base-Backbone interact. energy: 3.104 local terms energy: -427.161317 where: bonds (distance) C4'-P energy: -112.941 bonds (distance) P-C4' energy: -116.165 flat angles C4'-P-C4' energy: -122.785 flat angles P-C4'-P energy: -79.808 tors. eta vs tors. theta energy: 4.538 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: 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: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2442.124018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.124018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.124018 (E_RNA) where: Base-Base interactions energy: -1672.608 where: short stacking energy: -759.388 Base-Backbone interact. energy: 3.081 local terms energy: -772.596437 where: bonds (distance) C4'-P energy: -150.516 bonds (distance) P-C4' energy: -158.343 flat angles C4'-P-C4' energy: -173.312 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -187.790 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: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2266.012370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.012370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.012370 (E_RNA) where: Base-Base interactions energy: -1531.295 where: short stacking energy: -677.213 Base-Backbone interact. energy: -3.571 local terms energy: -731.146077 where: bonds (distance) C4'-P energy: -147.575 bonds (distance) P-C4' energy: -162.584 flat angles C4'-P-C4' energy: -167.441 flat angles P-C4'-P energy: -94.306 tors. eta vs tors. theta energy: -159.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2172.649509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.649509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.649509 (E_RNA) where: Base-Base interactions energy: -1456.594 where: short stacking energy: -684.606 Base-Backbone interact. energy: -1.018 local terms energy: -715.037775 where: bonds (distance) C4'-P energy: -136.615 bonds (distance) P-C4' energy: -150.538 flat angles C4'-P-C4' energy: -168.908 flat angles P-C4'-P energy: -109.307 tors. eta vs tors. theta energy: -149.668 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: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1924.776913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.776913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.776913 (E_RNA) where: Base-Base interactions energy: -1257.582 where: short stacking energy: -574.406 Base-Backbone interact. energy: -2.675 local terms energy: -664.520016 where: bonds (distance) C4'-P energy: -130.199 bonds (distance) P-C4' energy: -155.475 flat angles C4'-P-C4' energy: -139.946 flat angles P-C4'-P energy: -111.591 tors. eta vs tors. theta energy: -127.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1810.679763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.679763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.679763 (E_RNA) where: Base-Base interactions energy: -1207.947 where: short stacking energy: -554.573 Base-Backbone interact. energy: -3.386 local terms energy: -599.346107 where: bonds (distance) C4'-P energy: -118.836 bonds (distance) P-C4' energy: -123.567 flat angles C4'-P-C4' energy: -130.917 flat angles P-C4'-P energy: -106.725 tors. eta vs tors. theta energy: -119.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1670.772857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.772857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.772857 (E_RNA) where: Base-Base interactions energy: -1091.769 where: short stacking energy: -505.697 Base-Backbone interact. energy: 2.060 local terms energy: -581.063820 where: bonds (distance) C4'-P energy: -137.014 bonds (distance) P-C4' energy: -132.067 flat angles C4'-P-C4' energy: -151.387 flat angles P-C4'-P energy: -81.152 tors. eta vs tors. theta energy: -79.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1513.307446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.307446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.307446 (E_RNA) where: Base-Base interactions energy: -952.038 where: short stacking energy: -464.295 Base-Backbone interact. energy: 1.171 local terms energy: -562.439862 where: bonds (distance) C4'-P energy: -130.227 bonds (distance) P-C4' energy: -149.057 flat angles C4'-P-C4' energy: -125.458 flat angles P-C4'-P energy: -67.987 tors. eta vs tors. theta energy: -89.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1070.617729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.617729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.617729 (E_RNA) where: Base-Base interactions energy: -564.868 where: short stacking energy: -328.737 Base-Backbone interact. energy: 4.691 local terms energy: -510.440905 where: bonds (distance) C4'-P energy: -132.897 bonds (distance) P-C4' energy: -128.190 flat angles C4'-P-C4' energy: -119.263 flat angles P-C4'-P energy: -91.758 tors. eta vs tors. theta energy: -38.333 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: 10, replica: 1 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -784.743861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.743861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.743861 (E_RNA) where: Base-Base interactions energy: -373.560 where: short stacking energy: -235.223 Base-Backbone interact. energy: 3.372 local terms energy: -414.556352 where: bonds (distance) C4'-P energy: -125.936 bonds (distance) P-C4' energy: -129.799 flat angles C4'-P-C4' energy: -104.489 flat angles P-C4'-P energy: -65.608 tors. eta vs tors. theta energy: 11.275 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: 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: -2453.255454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.255454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.255454 (E_RNA) where: Base-Base interactions energy: -1684.242 where: short stacking energy: -755.412 Base-Backbone interact. energy: -4.201 local terms energy: -764.812476 where: bonds (distance) C4'-P energy: -157.078 bonds (distance) P-C4' energy: -157.055 flat angles C4'-P-C4' energy: -175.371 flat angles P-C4'-P energy: -97.288 tors. eta vs tors. theta energy: -178.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2286.036092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.036092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.036092 (E_RNA) where: Base-Base interactions energy: -1546.365 where: short stacking energy: -706.876 Base-Backbone interact. energy: -3.579 local terms energy: -736.091734 where: bonds (distance) C4'-P energy: -164.306 bonds (distance) P-C4' energy: -166.412 flat angles C4'-P-C4' energy: -153.956 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -158.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2213.480882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.480882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.480882 (E_RNA) where: Base-Base interactions energy: -1502.194 where: short stacking energy: -682.833 Base-Backbone interact. energy: -4.564 local terms energy: -706.722792 where: bonds (distance) C4'-P energy: -137.176 bonds (distance) P-C4' energy: -148.383 flat angles C4'-P-C4' energy: -162.106 flat angles P-C4'-P energy: -94.940 tors. eta vs tors. theta energy: -164.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1920.540149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.540149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.540149 (E_RNA) where: Base-Base interactions energy: -1238.241 where: short stacking energy: -607.081 Base-Backbone interact. energy: -2.765 local terms energy: -679.533900 where: bonds (distance) C4'-P energy: -140.848 bonds (distance) P-C4' energy: -147.961 flat angles C4'-P-C4' energy: -157.737 flat angles P-C4'-P energy: -93.854 tors. eta vs tors. theta energy: -139.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1836.021488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.021488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.021488 (E_RNA) where: Base-Base interactions energy: -1197.051 where: short stacking energy: -571.598 Base-Backbone interact. energy: 0.912 local terms energy: -639.881905 where: bonds (distance) C4'-P energy: -135.556 bonds (distance) P-C4' energy: -141.278 flat angles C4'-P-C4' energy: -146.534 flat angles P-C4'-P energy: -86.832 tors. eta vs tors. theta energy: -129.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1727.199959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.199959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.199959 (E_RNA) where: Base-Base interactions energy: -1158.179 where: short stacking energy: -536.315 Base-Backbone interact. energy: 2.118 local terms energy: -571.138658 where: bonds (distance) C4'-P energy: -108.560 bonds (distance) P-C4' energy: -132.796 flat angles C4'-P-C4' energy: -140.997 flat angles P-C4'-P energy: -93.102 tors. eta vs tors. theta energy: -95.683 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: 35 Temperature: 1.250000 Total energy: -1563.546731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.546731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.546731 (E_RNA) where: Base-Base interactions energy: -992.988 where: short stacking energy: -497.856 Base-Backbone interact. energy: 1.317 local terms energy: -571.875525 where: bonds (distance) C4'-P energy: -131.263 bonds (distance) P-C4' energy: -144.766 flat angles C4'-P-C4' energy: -119.622 flat angles P-C4'-P energy: -79.645 tors. eta vs tors. theta energy: -96.579 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: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1084.549725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.549725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.549725 (E_RNA) where: Base-Base interactions energy: -572.593 where: short stacking energy: -333.081 Base-Backbone interact. energy: 2.563 local terms energy: -514.520400 where: bonds (distance) C4'-P energy: -140.374 bonds (distance) P-C4' energy: -137.549 flat angles C4'-P-C4' energy: -105.390 flat angles P-C4'-P energy: -100.709 tors. eta vs tors. theta energy: -30.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -825.941293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.941293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.941293 (E_RNA) where: Base-Base interactions energy: -417.425 where: short stacking energy: -248.370 Base-Backbone interact. energy: 0.257 local terms energy: -408.773488 where: bonds (distance) C4'-P energy: -119.785 bonds (distance) P-C4' energy: -127.043 flat angles C4'-P-C4' energy: -133.217 flat angles P-C4'-P energy: -50.359 tors. eta vs tors. theta energy: 21.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2456.928094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.928094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.928094 (E_RNA) where: Base-Base interactions energy: -1643.395 where: short stacking energy: -763.913 Base-Backbone interact. energy: -5.088 local terms energy: -808.445111 where: bonds (distance) C4'-P energy: -148.293 bonds (distance) P-C4' energy: -165.101 flat angles C4'-P-C4' energy: -178.264 flat angles P-C4'-P energy: -123.971 tors. eta vs tors. theta energy: -192.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2419.077044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.077044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.077044 (E_RNA) where: Base-Base interactions energy: -1649.832 where: short stacking energy: -749.284 Base-Backbone interact. energy: -4.508 local terms energy: -764.736844 where: bonds (distance) C4'-P energy: -154.466 bonds (distance) P-C4' energy: -157.422 flat angles C4'-P-C4' energy: -174.301 flat angles P-C4'-P energy: -103.852 tors. eta vs tors. theta energy: -174.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2261.045494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.045494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.045494 (E_RNA) where: Base-Base interactions energy: -1538.900 where: short stacking energy: -668.461 Base-Backbone interact. energy: -4.520 local terms energy: -717.625231 where: bonds (distance) C4'-P energy: -162.397 bonds (distance) P-C4' energy: -156.745 flat angles C4'-P-C4' energy: -157.701 flat angles P-C4'-P energy: -95.003 tors. eta vs tors. theta energy: -145.780 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: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2222.411617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.411617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.411617 (E_RNA) where: Base-Base interactions energy: -1497.333 where: short stacking energy: -691.478 Base-Backbone interact. energy: 2.668 local terms energy: -727.746125 where: bonds (distance) C4'-P energy: -147.306 bonds (distance) P-C4' energy: -158.879 flat angles C4'-P-C4' energy: -167.924 flat angles P-C4'-P energy: -92.965 tors. eta vs tors. theta energy: -160.672 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: 36 Temperature: 1.100000 Total energy: -1974.301154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.301154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.301154 (E_RNA) where: Base-Base interactions energy: -1294.837 where: short stacking energy: -631.533 Base-Backbone interact. energy: -3.358 local terms energy: -676.105974 where: bonds (distance) C4'-P energy: -125.971 bonds (distance) P-C4' energy: -151.654 flat angles C4'-P-C4' energy: -169.230 flat angles P-C4'-P energy: -100.744 tors. eta vs tors. theta energy: -128.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1905.229876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.229876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.229876 (E_RNA) where: Base-Base interactions energy: -1254.171 where: short stacking energy: -593.176 Base-Backbone interact. energy: -0.864 local terms energy: -650.195735 where: bonds (distance) C4'-P energy: -139.676 bonds (distance) P-C4' energy: -134.141 flat angles C4'-P-C4' energy: -150.149 flat angles P-C4'-P energy: -85.082 tors. eta vs tors. theta energy: -141.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1863.814427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.814427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.814427 (E_RNA) where: Base-Base interactions energy: -1266.307 where: short stacking energy: -573.826 Base-Backbone interact. energy: 1.561 local terms energy: -599.068512 where: bonds (distance) C4'-P energy: -100.919 bonds (distance) P-C4' energy: -134.242 flat angles C4'-P-C4' energy: -160.603 flat angles P-C4'-P energy: -83.415 tors. eta vs tors. theta energy: -119.890 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: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1585.967682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.967682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.967682 (E_RNA) where: Base-Base interactions energy: -1003.744 where: short stacking energy: -502.172 Base-Backbone interact. energy: -3.117 local terms energy: -579.106568 where: bonds (distance) C4'-P energy: -117.547 bonds (distance) P-C4' energy: -143.372 flat angles C4'-P-C4' energy: -134.326 flat angles P-C4'-P energy: -78.497 tors. eta vs tors. theta energy: -105.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1103.370886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.370886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.370886 (E_RNA) where: Base-Base interactions energy: -632.301 where: short stacking energy: -351.947 Base-Backbone interact. energy: 1.868 local terms energy: -472.937974 where: bonds (distance) C4'-P energy: -128.690 bonds (distance) P-C4' energy: -107.529 flat angles C4'-P-C4' energy: -101.725 flat angles P-C4'-P energy: -74.656 tors. eta vs tors. theta energy: -60.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -861.766343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.766343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.766343 (E_RNA) where: Base-Base interactions energy: -413.036 where: short stacking energy: -274.710 Base-Backbone interact. energy: -3.723 local terms energy: -445.007033 where: bonds (distance) C4'-P energy: -111.168 bonds (distance) P-C4' energy: -123.857 flat angles C4'-P-C4' energy: -111.326 flat angles P-C4'-P energy: -86.680 tors. eta vs tors. theta energy: -11.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2479.027527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.027527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.027527 (E_RNA) where: Base-Base interactions energy: -1675.448 where: short stacking energy: -762.271 Base-Backbone interact. energy: -4.250 local terms energy: -799.329771 where: bonds (distance) C4'-P energy: -155.173 bonds (distance) P-C4' energy: -154.539 flat angles C4'-P-C4' energy: -183.938 flat angles P-C4'-P energy: -106.631 tors. eta vs tors. theta energy: -199.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2466.646997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.646997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.646997 (E_RNA) where: Base-Base interactions energy: -1664.207 where: short stacking energy: -760.439 Base-Backbone interact. energy: -4.022 local terms energy: -798.418407 where: bonds (distance) C4'-P energy: -153.391 bonds (distance) P-C4' energy: -164.675 flat angles C4'-P-C4' energy: -177.405 flat angles P-C4'-P energy: -115.988 tors. eta vs tors. theta energy: -186.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2256.806840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.806840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.806840 (E_RNA) where: Base-Base interactions energy: -1517.050 where: short stacking energy: -691.203 Base-Backbone interact. energy: -4.259 local terms energy: -735.497559 where: bonds (distance) C4'-P energy: -146.256 bonds (distance) P-C4' energy: -170.100 flat angles C4'-P-C4' energy: -160.864 flat angles P-C4'-P energy: -108.605 tors. eta vs tors. theta energy: -149.672 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: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2255.841917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.841917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.841917 (E_RNA) where: Base-Base interactions energy: -1528.205 where: short stacking energy: -702.915 Base-Backbone interact. energy: -2.824 local terms energy: -724.812848 where: bonds (distance) C4'-P energy: -152.855 bonds (distance) P-C4' energy: -153.614 flat angles C4'-P-C4' energy: -151.771 flat angles P-C4'-P energy: -93.004 tors. eta vs tors. theta energy: -173.568 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: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1939.438320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.438320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.438320 (E_RNA) where: Base-Base interactions energy: -1282.757 where: short stacking energy: -591.198 Base-Backbone interact. energy: 1.642 local terms energy: -658.323058 where: bonds (distance) C4'-P energy: -140.580 bonds (distance) P-C4' energy: -148.079 flat angles C4'-P-C4' energy: -138.712 flat angles P-C4'-P energy: -101.986 tors. eta vs tors. theta energy: -128.967 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: 9 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1892.834821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.834821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.834821 (E_RNA) where: Base-Base interactions energy: -1245.564 where: short stacking energy: -570.873 Base-Backbone interact. energy: -2.378 local terms energy: -644.892540 where: bonds (distance) C4'-P energy: -127.162 bonds (distance) P-C4' energy: -148.514 flat angles C4'-P-C4' energy: -151.857 flat angles P-C4'-P energy: -88.986 tors. eta vs tors. theta energy: -128.374 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: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1943.523093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.523093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.523093 (E_RNA) where: Base-Base interactions energy: -1301.931 where: short stacking energy: -580.560 Base-Backbone interact. energy: -1.671 local terms energy: -639.920764 where: bonds (distance) C4'-P energy: -121.381 bonds (distance) P-C4' energy: -149.406 flat angles C4'-P-C4' energy: -154.053 flat angles P-C4'-P energy: -94.695 tors. eta vs tors. theta energy: -120.386 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: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1556.139798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.139798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.139798 (E_RNA) where: Base-Base interactions energy: -1014.876 where: short stacking energy: -466.191 Base-Backbone interact. energy: -0.560 local terms energy: -540.703908 where: bonds (distance) C4'-P energy: -125.424 bonds (distance) P-C4' energy: -128.442 flat angles C4'-P-C4' energy: -148.981 flat angles P-C4'-P energy: -57.608 tors. eta vs tors. theta energy: -80.248 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: 3 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1157.323551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.323551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.323551 (E_RNA) where: Base-Base interactions energy: -675.568 where: short stacking energy: -347.741 Base-Backbone interact. energy: 0.314 local terms energy: -482.070055 where: bonds (distance) C4'-P energy: -122.386 bonds (distance) P-C4' energy: -126.681 flat angles C4'-P-C4' energy: -130.261 flat angles P-C4'-P energy: -52.440 tors. eta vs tors. theta energy: -50.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -818.787112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.787112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.787112 (E_RNA) where: Base-Base interactions energy: -380.295 where: short stacking energy: -246.389 Base-Backbone interact. energy: -1.259 local terms energy: -437.232916 where: bonds (distance) C4'-P energy: -136.353 bonds (distance) P-C4' energy: -121.244 flat angles C4'-P-C4' energy: -113.768 flat angles P-C4'-P energy: -68.650 tors. eta vs tors. theta energy: 2.783 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: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2521.977207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.977207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.977207 (E_RNA) where: Base-Base interactions energy: -1707.764 where: short stacking energy: -799.843 Base-Backbone interact. energy: -4.490 local terms energy: -809.723278 where: bonds (distance) C4'-P energy: -153.206 bonds (distance) P-C4' energy: -163.285 flat angles C4'-P-C4' energy: -183.005 flat angles P-C4'-P energy: -115.345 tors. eta vs tors. theta energy: -194.882 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: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2420.684552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.684552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.684552 (E_RNA) where: Base-Base interactions energy: -1621.136 where: short stacking energy: -754.857 Base-Backbone interact. energy: -6.901 local terms energy: -792.647344 where: bonds (distance) C4'-P energy: -149.878 bonds (distance) P-C4' energy: -162.799 flat angles C4'-P-C4' energy: -174.792 flat angles P-C4'-P energy: -117.819 tors. eta vs tors. theta energy: -187.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2260.606470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.606470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.606470 (E_RNA) where: Base-Base interactions energy: -1551.209 where: short stacking energy: -648.885 Base-Backbone interact. energy: -1.665 local terms energy: -707.732618 where: bonds (distance) C4'-P energy: -135.753 bonds (distance) P-C4' energy: -163.798 flat angles C4'-P-C4' energy: -163.955 flat angles P-C4'-P energy: -102.867 tors. eta vs tors. theta energy: -141.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2295.593782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.593782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.593782 (E_RNA) where: Base-Base interactions energy: -1571.215 where: short stacking energy: -702.811 Base-Backbone interact. energy: -0.119 local terms energy: -724.260046 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -141.848 flat angles C4'-P-C4' energy: -164.454 flat angles P-C4'-P energy: -97.684 tors. eta vs tors. theta energy: -173.869 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: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2074.886547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.886547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.886547 (E_RNA) where: Base-Base interactions energy: -1333.488 where: short stacking energy: -630.053 Base-Backbone interact. energy: -2.584 local terms energy: -738.814035 where: bonds (distance) C4'-P energy: -163.109 bonds (distance) P-C4' energy: -160.473 flat angles C4'-P-C4' energy: -165.191 flat angles P-C4'-P energy: -87.182 tors. eta vs tors. theta energy: -162.859 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: 9 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1866.015246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.015246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.015246 (E_RNA) where: Base-Base interactions energy: -1243.437 where: short stacking energy: -543.361 Base-Backbone interact. energy: -5.928 local terms energy: -616.650558 where: bonds (distance) C4'-P energy: -113.606 bonds (distance) P-C4' energy: -146.697 flat angles C4'-P-C4' energy: -151.906 flat angles P-C4'-P energy: -96.341 tors. eta vs tors. theta energy: -108.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -2010.812132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.812132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.812132 (E_RNA) where: Base-Base interactions energy: -1362.364 where: short stacking energy: -624.647 Base-Backbone interact. energy: 0.903 local terms energy: -649.351517 where: bonds (distance) C4'-P energy: -141.237 bonds (distance) P-C4' energy: -144.757 flat angles C4'-P-C4' energy: -132.199 flat angles P-C4'-P energy: -90.353 tors. eta vs tors. theta energy: -140.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1563.414273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.414273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.414273 (E_RNA) where: Base-Base interactions energy: -983.998 where: short stacking energy: -427.590 Base-Backbone interact. energy: -0.092 local terms energy: -579.323652 where: bonds (distance) C4'-P energy: -146.318 bonds (distance) P-C4' energy: -136.386 flat angles C4'-P-C4' energy: -121.347 flat angles P-C4'-P energy: -94.617 tors. eta vs tors. theta energy: -80.655 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: 38 Temperature: 1.300000 Total energy: -1262.091886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.091886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.091886 (E_RNA) where: Base-Base interactions energy: -752.708 where: short stacking energy: -367.905 Base-Backbone interact. energy: -5.732 local terms energy: -503.651431 where: bonds (distance) C4'-P energy: -118.213 bonds (distance) P-C4' energy: -149.935 flat angles C4'-P-C4' energy: -121.462 flat angles P-C4'-P energy: -83.671 tors. eta vs tors. theta energy: -30.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -806.715732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.715732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.715732 (E_RNA) where: Base-Base interactions energy: -359.013 where: short stacking energy: -249.760 Base-Backbone interact. energy: 3.265 local terms energy: -450.967964 where: bonds (distance) C4'-P energy: -121.714 bonds (distance) P-C4' energy: -140.355 flat angles C4'-P-C4' energy: -117.578 flat angles P-C4'-P energy: -71.749 tors. eta vs tors. theta energy: 0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2511.842687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.842687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.842687 (E_RNA) where: Base-Base interactions energy: -1718.784 where: short stacking energy: -788.319 Base-Backbone interact. energy: -0.901 local terms energy: -792.157300 where: bonds (distance) C4'-P energy: -159.619 bonds (distance) P-C4' energy: -160.197 flat angles C4'-P-C4' energy: -167.442 flat angles P-C4'-P energy: -119.222 tors. eta vs tors. theta energy: -185.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2401.428301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.428301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.428301 (E_RNA) where: Base-Base interactions energy: -1620.142 where: short stacking energy: -763.114 Base-Backbone interact. energy: -3.819 local terms energy: -777.467917 where: bonds (distance) C4'-P energy: -151.949 bonds (distance) P-C4' energy: -153.134 flat angles C4'-P-C4' energy: -171.806 flat angles P-C4'-P energy: -108.747 tors. eta vs tors. theta energy: -191.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2219.128788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.128788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.128788 (E_RNA) where: Base-Base interactions energy: -1503.569 where: short stacking energy: -647.560 Base-Backbone interact. energy: -3.631 local terms energy: -711.928487 where: bonds (distance) C4'-P energy: -143.455 bonds (distance) P-C4' energy: -159.274 flat angles C4'-P-C4' energy: -172.258 flat angles P-C4'-P energy: -91.084 tors. eta vs tors. theta energy: -145.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2252.545803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.545803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.545803 (E_RNA) where: Base-Base interactions energy: -1551.159 where: short stacking energy: -707.479 Base-Backbone interact. energy: -2.339 local terms energy: -699.047762 where: bonds (distance) C4'-P energy: -132.206 bonds (distance) P-C4' energy: -150.661 flat angles C4'-P-C4' energy: -154.425 flat angles P-C4'-P energy: -88.127 tors. eta vs tors. theta energy: -173.629 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: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2057.633314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.633314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.633314 (E_RNA) where: Base-Base interactions energy: -1390.929 where: short stacking energy: -639.733 Base-Backbone interact. energy: -3.329 local terms energy: -663.374962 where: bonds (distance) C4'-P energy: -149.057 bonds (distance) P-C4' energy: -126.943 flat angles C4'-P-C4' energy: -159.797 flat angles P-C4'-P energy: -93.742 tors. eta vs tors. theta energy: -133.837 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: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1893.094524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.094524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.094524 (E_RNA) where: Base-Base interactions energy: -1273.087 where: short stacking energy: -607.981 Base-Backbone interact. energy: -0.823 local terms energy: -619.184684 where: bonds (distance) C4'-P energy: -135.829 bonds (distance) P-C4' energy: -128.980 flat angles C4'-P-C4' energy: -127.056 flat angles P-C4'-P energy: -91.094 tors. eta vs tors. theta energy: -136.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1975.763797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.763797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.763797 (E_RNA) where: Base-Base interactions energy: -1356.659 where: short stacking energy: -625.137 Base-Backbone interact. energy: 0.462 local terms energy: -619.566775 where: bonds (distance) C4'-P energy: -121.430 bonds (distance) P-C4' energy: -146.610 flat angles C4'-P-C4' energy: -130.453 flat angles P-C4'-P energy: -92.323 tors. eta vs tors. theta energy: -128.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1503.444954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.444954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.444954 (E_RNA) where: Base-Base interactions energy: -958.046 where: short stacking energy: -433.841 Base-Backbone interact. energy: -2.054 local terms energy: -543.345347 where: bonds (distance) C4'-P energy: -131.484 bonds (distance) P-C4' energy: -139.268 flat angles C4'-P-C4' energy: -110.496 flat angles P-C4'-P energy: -70.093 tors. eta vs tors. theta energy: -92.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1335.813001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.813001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.813001 (E_RNA) where: Base-Base interactions energy: -855.823 where: short stacking energy: -388.630 Base-Backbone interact. energy: 7.901 local terms energy: -487.890755 where: bonds (distance) C4'-P energy: -130.592 bonds (distance) P-C4' energy: -104.533 flat angles C4'-P-C4' energy: -135.306 flat angles P-C4'-P energy: -79.591 tors. eta vs tors. theta energy: -37.868 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: 39 Temperature: 1.350000 Total energy: -803.080377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.080377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.080377 (E_RNA) where: Base-Base interactions energy: -382.862 where: short stacking energy: -261.646 Base-Backbone interact. energy: 0.454 local terms energy: -420.672898 where: bonds (distance) C4'-P energy: -100.772 bonds (distance) P-C4' energy: -143.513 flat angles C4'-P-C4' energy: -102.714 flat angles P-C4'-P energy: -74.172 tors. eta vs tors. theta energy: 0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2502.553744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.553744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.553744 (E_RNA) where: Base-Base interactions energy: -1696.214 where: short stacking energy: -777.403 Base-Backbone interact. energy: -1.356 local terms energy: -804.983667 where: bonds (distance) C4'-P energy: -157.145 bonds (distance) P-C4' energy: -164.571 flat angles C4'-P-C4' energy: -179.916 flat angles P-C4'-P energy: -114.853 tors. eta vs tors. theta energy: -188.499 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: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2433.081447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.081447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.081447 (E_RNA) where: Base-Base interactions energy: -1646.855 where: short stacking energy: -782.921 Base-Backbone interact. energy: -2.606 local terms energy: -783.620936 where: bonds (distance) C4'-P energy: -147.491 bonds (distance) P-C4' energy: -155.045 flat angles C4'-P-C4' energy: -176.502 flat angles P-C4'-P energy: -112.703 tors. eta vs tors. theta energy: -191.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2363.471785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.471785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.471785 (E_RNA) where: Base-Base interactions energy: -1600.806 where: short stacking energy: -725.347 Base-Backbone interact. energy: -4.637 local terms energy: -758.028530 where: bonds (distance) C4'-P energy: -147.274 bonds (distance) P-C4' energy: -143.628 flat angles C4'-P-C4' energy: -172.525 flat angles P-C4'-P energy: -109.423 tors. eta vs tors. theta energy: -185.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2188.652174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.652174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.652174 (E_RNA) where: Base-Base interactions energy: -1468.746 where: short stacking energy: -626.915 Base-Backbone interact. energy: -1.367 local terms energy: -718.538635 where: bonds (distance) C4'-P energy: -155.912 bonds (distance) P-C4' energy: -156.586 flat angles C4'-P-C4' energy: -165.417 flat angles P-C4'-P energy: -100.530 tors. eta vs tors. theta energy: -140.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2112.191292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.191292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.191292 (E_RNA) where: Base-Base interactions energy: -1426.487 where: short stacking energy: -642.553 Base-Backbone interact. energy: 3.850 local terms energy: -689.554312 where: bonds (distance) C4'-P energy: -143.348 bonds (distance) P-C4' energy: -149.042 flat angles C4'-P-C4' energy: -150.255 flat angles P-C4'-P energy: -108.034 tors. eta vs tors. theta energy: -138.875 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: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1864.189283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.189283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.189283 (E_RNA) where: Base-Base interactions energy: -1219.520 where: short stacking energy: -531.089 Base-Backbone interact. energy: -2.825 local terms energy: -641.844464 where: bonds (distance) C4'-P energy: -140.526 bonds (distance) P-C4' energy: -162.260 flat angles C4'-P-C4' energy: -157.170 flat angles P-C4'-P energy: -81.963 tors. eta vs tors. theta energy: -99.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1928.804297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.804297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.804297 (E_RNA) where: Base-Base interactions energy: -1260.082 where: short stacking energy: -587.429 Base-Backbone interact. energy: 3.133 local terms energy: -671.855511 where: bonds (distance) C4'-P energy: -146.639 bonds (distance) P-C4' energy: -138.795 flat angles C4'-P-C4' energy: -151.615 flat angles P-C4'-P energy: -95.602 tors. eta vs tors. theta energy: -139.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1538.796813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.796813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.796813 (E_RNA) where: Base-Base interactions energy: -962.935 where: short stacking energy: -461.154 Base-Backbone interact. energy: -0.058 local terms energy: -575.804236 where: bonds (distance) C4'-P energy: -131.085 bonds (distance) P-C4' energy: -143.736 flat angles C4'-P-C4' energy: -124.502 flat angles P-C4'-P energy: -80.920 tors. eta vs tors. theta energy: -95.562 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: 3 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1378.027960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.027960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.027960 (E_RNA) where: Base-Base interactions energy: -898.367 where: short stacking energy: -406.091 Base-Backbone interact. energy: -3.069 local terms energy: -476.592128 where: bonds (distance) C4'-P energy: -132.272 bonds (distance) P-C4' energy: -129.779 flat angles C4'-P-C4' energy: -120.045 flat angles P-C4'-P energy: -53.890 tors. eta vs tors. theta energy: -40.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -845.769735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.769735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.769735 (E_RNA) where: Base-Base interactions energy: -407.581 where: short stacking energy: -280.872 Base-Backbone interact. energy: -1.843 local terms energy: -436.345405 where: bonds (distance) C4'-P energy: -125.543 bonds (distance) P-C4' energy: -133.557 flat angles C4'-P-C4' energy: -120.170 flat angles P-C4'-P energy: -54.196 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2527.620441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.620441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.620441 (E_RNA) where: Base-Base interactions energy: -1733.608 where: short stacking energy: -796.434 Base-Backbone interact. energy: -4.917 local terms energy: -789.095561 where: bonds (distance) C4'-P energy: -154.581 bonds (distance) P-C4' energy: -149.386 flat angles C4'-P-C4' energy: -177.427 flat angles P-C4'-P energy: -113.238 tors. eta vs tors. theta energy: -194.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2428.440493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.440493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.440493 (E_RNA) where: Base-Base interactions energy: -1614.564 where: short stacking energy: -726.173 Base-Backbone interact. energy: 0.916 local terms energy: -814.792344 where: bonds (distance) C4'-P energy: -154.852 bonds (distance) P-C4' energy: -153.141 flat angles C4'-P-C4' energy: -186.642 flat angles P-C4'-P energy: -128.632 tors. eta vs tors. theta energy: -191.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2351.028181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.028181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.028181 (E_RNA) where: Base-Base interactions energy: -1583.543 where: short stacking energy: -734.719 Base-Backbone interact. energy: -5.736 local terms energy: -761.749635 where: bonds (distance) C4'-P energy: -150.743 bonds (distance) P-C4' energy: -149.190 flat angles C4'-P-C4' energy: -178.882 flat angles P-C4'-P energy: -94.922 tors. eta vs tors. theta energy: -188.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2208.764648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.764648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.764648 (E_RNA) where: Base-Base interactions energy: -1490.696 where: short stacking energy: -693.936 Base-Backbone interact. energy: -0.563 local terms energy: -717.505264 where: bonds (distance) C4'-P energy: -124.592 bonds (distance) P-C4' energy: -161.587 flat angles C4'-P-C4' energy: -166.323 flat angles P-C4'-P energy: -104.792 tors. eta vs tors. theta energy: -160.212 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: 41 Temperature: 1.100000 Total energy: -2035.899282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.899282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.899282 (E_RNA) where: Base-Base interactions energy: -1360.943 where: short stacking energy: -585.636 Base-Backbone interact. energy: -3.935 local terms energy: -671.022167 where: bonds (distance) C4'-P energy: -151.304 bonds (distance) P-C4' energy: -144.479 flat angles C4'-P-C4' energy: -157.692 flat angles P-C4'-P energy: -90.721 tors. eta vs tors. theta energy: -126.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -2065.281843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.281843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.281843 (E_RNA) where: Base-Base interactions energy: -1377.586 where: short stacking energy: -645.997 Base-Backbone interact. energy: -0.571 local terms energy: -687.124904 where: bonds (distance) C4'-P energy: -147.855 bonds (distance) P-C4' energy: -140.953 flat angles C4'-P-C4' energy: -158.677 flat angles P-C4'-P energy: -94.612 tors. eta vs tors. theta energy: -145.029 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: 7, replica: 9 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1808.634986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.634986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.634986 (E_RNA) where: Base-Base interactions energy: -1207.652 where: short stacking energy: -527.136 Base-Backbone interact. energy: -1.311 local terms energy: -599.672246 where: bonds (distance) C4'-P energy: -147.275 bonds (distance) P-C4' energy: -127.343 flat angles C4'-P-C4' energy: -143.821 flat angles P-C4'-P energy: -80.702 tors. eta vs tors. theta energy: -100.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1609.426055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.426055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.426055 (E_RNA) where: Base-Base interactions energy: -1052.115 where: short stacking energy: -499.767 Base-Backbone interact. energy: 4.412 local terms energy: -561.723591 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -128.043 flat angles C4'-P-C4' energy: -127.657 flat angles P-C4'-P energy: -72.121 tors. eta vs tors. theta energy: -104.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1405.324355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.324355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.324355 (E_RNA) where: Base-Base interactions energy: -876.612 where: short stacking energy: -426.682 Base-Backbone interact. energy: 1.086 local terms energy: -529.798778 where: bonds (distance) C4'-P energy: -124.249 bonds (distance) P-C4' energy: -136.353 flat angles C4'-P-C4' energy: -132.415 flat angles P-C4'-P energy: -71.764 tors. eta vs tors. theta energy: -65.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -824.348881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.348881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.348881 (E_RNA) where: Base-Base interactions energy: -411.141 where: short stacking energy: -262.427 Base-Backbone interact. energy: 3.922 local terms energy: -417.129370 where: bonds (distance) C4'-P energy: -110.996 bonds (distance) P-C4' energy: -135.535 flat angles C4'-P-C4' energy: -109.844 flat angles P-C4'-P energy: -68.010 tors. eta vs tors. theta energy: 7.256 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: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2540.950413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.950413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.950413 (E_RNA) where: Base-Base interactions energy: -1737.744 where: short stacking energy: -795.782 Base-Backbone interact. energy: -2.544 local terms energy: -800.661924 where: bonds (distance) C4'-P energy: -146.604 bonds (distance) P-C4' energy: -164.261 flat angles C4'-P-C4' energy: -178.482 flat angles P-C4'-P energy: -116.594 tors. eta vs tors. theta energy: -194.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2514.623303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.623303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.623303 (E_RNA) where: Base-Base interactions energy: -1702.203 where: short stacking energy: -788.161 Base-Backbone interact. energy: -2.655 local terms energy: -809.765580 where: bonds (distance) C4'-P energy: -172.291 bonds (distance) P-C4' energy: -155.819 flat angles C4'-P-C4' energy: -156.333 flat angles P-C4'-P energy: -119.677 tors. eta vs tors. theta energy: -205.645 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: 3, replica: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2350.686367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.686367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.686367 (E_RNA) where: Base-Base interactions energy: -1580.684 where: short stacking energy: -716.636 Base-Backbone interact. energy: -5.086 local terms energy: -764.917230 where: bonds (distance) C4'-P energy: -159.691 bonds (distance) P-C4' energy: -154.355 flat angles C4'-P-C4' energy: -172.711 flat angles P-C4'-P energy: -100.750 tors. eta vs tors. theta energy: -177.410 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: 42 Temperature: 1.050000 Total energy: -2235.225864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.225864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.225864 (E_RNA) where: Base-Base interactions energy: -1522.290 where: short stacking energy: -715.442 Base-Backbone interact. energy: -1.340 local terms energy: -711.596227 where: bonds (distance) C4'-P energy: -121.896 bonds (distance) P-C4' energy: -155.714 flat angles C4'-P-C4' energy: -160.799 flat angles P-C4'-P energy: -106.570 tors. eta vs tors. theta energy: -166.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2109.822958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.822958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.822958 (E_RNA) where: Base-Base interactions energy: -1451.444 where: short stacking energy: -640.430 Base-Backbone interact. energy: 0.016 local terms energy: -658.394348 where: bonds (distance) C4'-P energy: -150.131 bonds (distance) P-C4' energy: -147.500 flat angles C4'-P-C4' energy: -136.052 flat angles P-C4'-P energy: -97.458 tors. eta vs tors. theta energy: -127.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -2107.799990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.799990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.799990 (E_RNA) where: Base-Base interactions energy: -1418.565 where: short stacking energy: -628.322 Base-Backbone interact. energy: -4.035 local terms energy: -685.199973 where: bonds (distance) C4'-P energy: -127.416 bonds (distance) P-C4' energy: -153.816 flat angles C4'-P-C4' energy: -162.117 flat angles P-C4'-P energy: -93.170 tors. eta vs tors. theta energy: -148.681 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: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1881.398313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.398313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.398313 (E_RNA) where: Base-Base interactions energy: -1263.609 where: short stacking energy: -567.294 Base-Backbone interact. energy: -2.108 local terms energy: -615.681299 where: bonds (distance) C4'-P energy: -125.414 bonds (distance) P-C4' energy: -141.053 flat angles C4'-P-C4' energy: -151.868 flat angles P-C4'-P energy: -81.454 tors. eta vs tors. theta energy: -115.893 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: 42 Temperature: 1.250000 Total energy: -1640.097107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.097107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.097107 (E_RNA) where: Base-Base interactions energy: -1093.075 where: short stacking energy: -510.753 Base-Backbone interact. energy: -0.314 local terms energy: -546.707967 where: bonds (distance) C4'-P energy: -113.858 bonds (distance) P-C4' energy: -132.830 flat angles C4'-P-C4' energy: -126.075 flat angles P-C4'-P energy: -84.745 tors. eta vs tors. theta energy: -89.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1533.734851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.734851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.734851 (E_RNA) where: Base-Base interactions energy: -964.563 where: short stacking energy: -451.868 Base-Backbone interact. energy: 3.730 local terms energy: -572.901995 where: bonds (distance) C4'-P energy: -148.996 bonds (distance) P-C4' energy: -143.233 flat angles C4'-P-C4' energy: -126.012 flat angles P-C4'-P energy: -71.823 tors. eta vs tors. theta energy: -82.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -935.388945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.388945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.388945 (E_RNA) where: Base-Base interactions energy: -531.581 where: short stacking energy: -320.517 Base-Backbone interact. energy: 0.520 local terms energy: -404.328250 where: bonds (distance) C4'-P energy: -96.098 bonds (distance) P-C4' energy: -120.327 flat angles C4'-P-C4' energy: -111.886 flat angles P-C4'-P energy: -55.673 tors. eta vs tors. theta energy: -20.344 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: 43 Temperature: 0.900000 Total energy: -2571.708131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.708131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.708131 (E_RNA) where: Base-Base interactions energy: -1755.356 where: short stacking energy: -799.836 Base-Backbone interact. energy: -2.879 local terms energy: -813.473317 where: bonds (distance) C4'-P energy: -161.498 bonds (distance) P-C4' energy: -148.943 flat angles C4'-P-C4' energy: -182.081 flat angles P-C4'-P energy: -130.407 tors. eta vs tors. theta energy: -190.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2552.614044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.614044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.614044 (E_RNA) where: Base-Base interactions energy: -1760.478 where: short stacking energy: -787.348 Base-Backbone interact. energy: -4.731 local terms energy: -787.405155 where: bonds (distance) C4'-P energy: -126.039 bonds (distance) P-C4' energy: -159.127 flat angles C4'-P-C4' energy: -179.547 flat angles P-C4'-P energy: -113.827 tors. eta vs tors. theta energy: -208.864 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: 7 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2302.801719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.801719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.801719 (E_RNA) where: Base-Base interactions energy: -1550.144 where: short stacking energy: -735.924 Base-Backbone interact. energy: -1.113 local terms energy: -751.545273 where: bonds (distance) C4'-P energy: -131.839 bonds (distance) P-C4' energy: -160.018 flat angles C4'-P-C4' energy: -177.199 flat angles P-C4'-P energy: -97.981 tors. eta vs tors. theta energy: -184.507 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: 43 Temperature: 1.050000 Total energy: -2241.774561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.774561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.774561 (E_RNA) where: Base-Base interactions energy: -1511.556 where: short stacking energy: -692.721 Base-Backbone interact. energy: -5.044 local terms energy: -725.174667 where: bonds (distance) C4'-P energy: -137.325 bonds (distance) P-C4' energy: -159.714 flat angles C4'-P-C4' energy: -158.780 flat angles P-C4'-P energy: -99.357 tors. eta vs tors. theta energy: -169.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2051.584960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.584960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.584960 (E_RNA) where: Base-Base interactions energy: -1432.289 where: short stacking energy: -620.397 Base-Backbone interact. energy: -5.022 local terms energy: -614.273546 where: bonds (distance) C4'-P energy: -140.773 bonds (distance) P-C4' energy: -141.817 flat angles C4'-P-C4' energy: -138.444 flat angles P-C4'-P energy: -80.486 tors. eta vs tors. theta energy: -112.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -2092.355725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.355725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.355725 (E_RNA) where: Base-Base interactions energy: -1411.157 where: short stacking energy: -617.458 Base-Backbone interact. energy: 2.010 local terms energy: -683.208232 where: bonds (distance) C4'-P energy: -153.619 bonds (distance) P-C4' energy: -135.937 flat angles C4'-P-C4' energy: -159.476 flat angles P-C4'-P energy: -99.375 tors. eta vs tors. theta energy: -134.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1903.012379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.012379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.012379 (E_RNA) where: Base-Base interactions energy: -1284.630 where: short stacking energy: -594.646 Base-Backbone interact. energy: -4.471 local terms energy: -613.912027 where: bonds (distance) C4'-P energy: -127.553 bonds (distance) P-C4' energy: -134.393 flat angles C4'-P-C4' energy: -144.038 flat angles P-C4'-P energy: -81.384 tors. eta vs tors. theta energy: -126.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1595.023640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.023640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.023640 (E_RNA) where: Base-Base interactions energy: -1028.657 where: short stacking energy: -487.638 Base-Backbone interact. energy: -1.110 local terms energy: -565.257035 where: bonds (distance) C4'-P energy: -126.309 bonds (distance) P-C4' energy: -133.039 flat angles C4'-P-C4' energy: -120.854 flat angles P-C4'-P energy: -96.827 tors. eta vs tors. theta energy: -88.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1482.761288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.761288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.761288 (E_RNA) where: Base-Base interactions energy: -996.956 where: short stacking energy: -451.409 Base-Backbone interact. energy: -2.307 local terms energy: -483.499068 where: bonds (distance) C4'-P energy: -100.039 bonds (distance) P-C4' energy: -127.683 flat angles C4'-P-C4' energy: -120.146 flat angles P-C4'-P energy: -76.084 tors. eta vs tors. theta energy: -59.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -986.316224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.316224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.316224 (E_RNA) where: Base-Base interactions energy: -528.443 where: short stacking energy: -293.247 Base-Backbone interact. energy: 1.925 local terms energy: -459.797646 where: bonds (distance) C4'-P energy: -123.853 bonds (distance) P-C4' energy: -144.514 flat angles C4'-P-C4' energy: -124.243 flat angles P-C4'-P energy: -68.245 tors. eta vs tors. theta energy: 1.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2610.248347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.248347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.248347 (E_RNA) where: Base-Base interactions energy: -1775.425 where: short stacking energy: -819.144 Base-Backbone interact. energy: -2.446 local terms energy: -832.377869 where: bonds (distance) C4'-P energy: -150.258 bonds (distance) P-C4' energy: -155.911 flat angles C4'-P-C4' energy: -190.281 flat angles P-C4'-P energy: -126.047 tors. eta vs tors. theta energy: -209.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2465.095697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.095697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.095697 (E_RNA) where: Base-Base interactions energy: -1697.006 where: short stacking energy: -752.587 Base-Backbone interact. energy: 1.988 local terms energy: -770.078080 where: bonds (distance) C4'-P energy: -153.616 bonds (distance) P-C4' energy: -155.477 flat angles C4'-P-C4' energy: -165.573 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -182.829 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: 7 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2260.574140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.574140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.574140 (E_RNA) where: Base-Base interactions energy: -1495.108 where: short stacking energy: -699.780 Base-Backbone interact. energy: -3.353 local terms energy: -762.114045 where: bonds (distance) C4'-P energy: -149.931 bonds (distance) P-C4' energy: -156.082 flat angles C4'-P-C4' energy: -168.767 flat angles P-C4'-P energy: -112.596 tors. eta vs tors. theta energy: -174.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2246.482573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.482573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.482573 (E_RNA) where: Base-Base interactions energy: -1536.277 where: short stacking energy: -713.533 Base-Backbone interact. energy: -4.927 local terms energy: -705.278061 where: bonds (distance) C4'-P energy: -143.754 bonds (distance) P-C4' energy: -146.884 flat angles C4'-P-C4' energy: -149.665 flat angles P-C4'-P energy: -98.819 tors. eta vs tors. theta energy: -166.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2305.861553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.861553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.861553 (E_RNA) where: Base-Base interactions energy: -1558.201 where: short stacking energy: -689.016 Base-Backbone interact. energy: -2.882 local terms energy: -744.778633 where: bonds (distance) C4'-P energy: -155.083 bonds (distance) P-C4' energy: -148.517 flat angles C4'-P-C4' energy: -154.723 flat angles P-C4'-P energy: -109.759 tors. eta vs tors. theta energy: -176.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2024.398384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.398384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.398384 (E_RNA) where: Base-Base interactions energy: -1375.816 where: short stacking energy: -601.819 Base-Backbone interact. energy: -3.058 local terms energy: -645.523858 where: bonds (distance) C4'-P energy: -136.703 bonds (distance) P-C4' energy: -141.228 flat angles C4'-P-C4' energy: -154.977 flat angles P-C4'-P energy: -87.111 tors. eta vs tors. theta energy: -125.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1832.374658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.374658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.374658 (E_RNA) where: Base-Base interactions energy: -1248.250 where: short stacking energy: -547.907 Base-Backbone interact. energy: -0.691 local terms energy: -583.433570 where: bonds (distance) C4'-P energy: -135.439 bonds (distance) P-C4' energy: -126.867 flat angles C4'-P-C4' energy: -135.621 flat angles P-C4'-P energy: -87.238 tors. eta vs tors. theta energy: -98.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1627.288333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.288333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.288333 (E_RNA) where: Base-Base interactions energy: -1028.174 where: short stacking energy: -488.785 Base-Backbone interact. energy: -0.701 local terms energy: -598.413414 where: bonds (distance) C4'-P energy: -133.643 bonds (distance) P-C4' energy: -137.344 flat angles C4'-P-C4' energy: -129.078 flat angles P-C4'-P energy: -95.929 tors. eta vs tors. theta energy: -102.419 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: 3 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1489.286891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.286891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.286891 (E_RNA) where: Base-Base interactions energy: -959.940 where: short stacking energy: -444.366 Base-Backbone interact. energy: -2.081 local terms energy: -527.265705 where: bonds (distance) C4'-P energy: -135.041 bonds (distance) P-C4' energy: -123.879 flat angles C4'-P-C4' energy: -122.047 flat angles P-C4'-P energy: -75.045 tors. eta vs tors. theta energy: -71.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -966.684643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.684643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.684643 (E_RNA) where: Base-Base interactions energy: -515.703 where: short stacking energy: -282.370 Base-Backbone interact. energy: -0.653 local terms energy: -450.328688 where: bonds (distance) C4'-P energy: -95.565 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -117.601 flat angles P-C4'-P energy: -88.949 tors. eta vs tors. theta energy: -18.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2619.226289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.226289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.226289 (E_RNA) where: Base-Base interactions energy: -1784.291 where: short stacking energy: -796.341 Base-Backbone interact. energy: -3.403 local terms energy: -831.532164 where: bonds (distance) C4'-P energy: -170.353 bonds (distance) P-C4' energy: -159.994 flat angles C4'-P-C4' energy: -175.061 flat angles P-C4'-P energy: -117.051 tors. eta vs tors. theta energy: -209.074 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: 45 Temperature: 0.950000 Total energy: -2521.902953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.902953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.902953 (E_RNA) where: Base-Base interactions energy: -1728.556 where: short stacking energy: -769.340 Base-Backbone interact. energy: -3.436 local terms energy: -789.911275 where: bonds (distance) C4'-P energy: -166.015 bonds (distance) P-C4' energy: -161.358 flat angles C4'-P-C4' energy: -168.567 flat angles P-C4'-P energy: -113.782 tors. eta vs tors. theta energy: -180.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2322.862870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.862870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.862870 (E_RNA) where: Base-Base interactions energy: -1562.419 where: short stacking energy: -738.245 Base-Backbone interact. energy: -5.860 local terms energy: -754.583335 where: bonds (distance) C4'-P energy: -149.860 bonds (distance) P-C4' energy: -146.913 flat angles C4'-P-C4' energy: -173.639 flat angles P-C4'-P energy: -104.631 tors. eta vs tors. theta energy: -179.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2375.177889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.177889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.177889 (E_RNA) where: Base-Base interactions energy: -1620.734 where: short stacking energy: -731.248 Base-Backbone interact. energy: -1.955 local terms energy: -752.488889 where: bonds (distance) C4'-P energy: -139.219 bonds (distance) P-C4' energy: -142.792 flat angles C4'-P-C4' energy: -177.150 flat angles P-C4'-P energy: -111.692 tors. eta vs tors. theta energy: -181.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2153.298567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.298567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.298567 (E_RNA) where: Base-Base interactions energy: -1454.735 where: short stacking energy: -670.608 Base-Backbone interact. energy: 0.643 local terms energy: -699.207049 where: bonds (distance) C4'-P energy: -131.539 bonds (distance) P-C4' energy: -153.657 flat angles C4'-P-C4' energy: -159.776 flat angles P-C4'-P energy: -96.662 tors. eta vs tors. theta energy: -157.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2016.857715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.857715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.857715 (E_RNA) where: Base-Base interactions energy: -1357.355 where: short stacking energy: -599.387 Base-Backbone interact. energy: -5.907 local terms energy: -653.596617 where: bonds (distance) C4'-P energy: -135.037 bonds (distance) P-C4' energy: -152.306 flat angles C4'-P-C4' energy: -147.711 flat angles P-C4'-P energy: -89.258 tors. eta vs tors. theta energy: -129.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1815.296762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.296762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.296762 (E_RNA) where: Base-Base interactions energy: -1209.146 where: short stacking energy: -558.637 Base-Backbone interact. energy: -0.626 local terms energy: -605.524821 where: bonds (distance) C4'-P energy: -142.087 bonds (distance) P-C4' energy: -120.730 flat angles C4'-P-C4' energy: -136.668 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -112.740 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: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1636.316828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.316828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.316828 (E_RNA) where: Base-Base interactions energy: -1056.533 where: short stacking energy: -485.200 Base-Backbone interact. energy: 3.743 local terms energy: -583.526209 where: bonds (distance) C4'-P energy: -114.821 bonds (distance) P-C4' energy: -155.507 flat angles C4'-P-C4' energy: -135.791 flat angles P-C4'-P energy: -80.722 tors. eta vs tors. theta energy: -96.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1499.046101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.046101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.046101 (E_RNA) where: Base-Base interactions energy: -971.065 where: short stacking energy: -426.659 Base-Backbone interact. energy: 3.078 local terms energy: -531.059532 where: bonds (distance) C4'-P energy: -121.459 bonds (distance) P-C4' energy: -133.649 flat angles C4'-P-C4' energy: -146.311 flat angles P-C4'-P energy: -72.626 tors. eta vs tors. theta energy: -57.015 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: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -891.858819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.858819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.858819 (E_RNA) where: Base-Base interactions energy: -465.842 where: short stacking energy: -252.201 Base-Backbone interact. energy: 3.218 local terms energy: -429.235461 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -125.331 flat angles C4'-P-C4' energy: -117.318 flat angles P-C4'-P energy: -70.661 tors. eta vs tors. theta energy: 3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2625.542861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.542861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.542861 (E_RNA) where: Base-Base interactions energy: -1810.501 where: short stacking energy: -806.156 Base-Backbone interact. energy: -3.140 local terms energy: -811.902631 where: bonds (distance) C4'-P energy: -157.954 bonds (distance) P-C4' energy: -145.898 flat angles C4'-P-C4' energy: -176.331 flat angles P-C4'-P energy: -126.785 tors. eta vs tors. theta energy: -204.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2557.329335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.329335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.329335 (E_RNA) where: Base-Base interactions energy: -1756.797 where: short stacking energy: -776.336 Base-Backbone interact. energy: -2.706 local terms energy: -797.826174 where: bonds (distance) C4'-P energy: -158.867 bonds (distance) P-C4' energy: -146.158 flat angles C4'-P-C4' energy: -172.936 flat angles P-C4'-P energy: -130.674 tors. eta vs tors. theta energy: -189.190 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: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2486.760580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.760580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.760580 (E_RNA) where: Base-Base interactions energy: -1697.429 where: short stacking energy: -745.843 Base-Backbone interact. energy: 0.339 local terms energy: -789.670661 where: bonds (distance) C4'-P energy: -158.886 bonds (distance) P-C4' energy: -152.730 flat angles C4'-P-C4' energy: -176.791 flat angles P-C4'-P energy: -115.703 tors. eta vs tors. theta energy: -185.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2259.338309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.338309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.338309 (E_RNA) where: Base-Base interactions energy: -1522.580 where: short stacking energy: -723.895 Base-Backbone interact. energy: -2.093 local terms energy: -734.664581 where: bonds (distance) C4'-P energy: -152.903 bonds (distance) P-C4' energy: -152.021 flat angles C4'-P-C4' energy: -157.719 flat angles P-C4'-P energy: -108.879 tors. eta vs tors. theta energy: -163.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2096.534839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.534839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.534839 (E_RNA) where: Base-Base interactions energy: -1437.899 where: short stacking energy: -651.341 Base-Backbone interact. energy: -0.309 local terms energy: -658.326758 where: bonds (distance) C4'-P energy: -138.717 bonds (distance) P-C4' energy: -146.943 flat angles C4'-P-C4' energy: -160.544 flat angles P-C4'-P energy: -66.509 tors. eta vs tors. theta energy: -145.614 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: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2026.852506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.852506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.852506 (E_RNA) where: Base-Base interactions energy: -1346.746 where: short stacking energy: -587.759 Base-Backbone interact. energy: 2.143 local terms energy: -682.249107 where: bonds (distance) C4'-P energy: -146.684 bonds (distance) P-C4' energy: -135.212 flat angles C4'-P-C4' energy: -162.901 flat angles P-C4'-P energy: -109.376 tors. eta vs tors. theta energy: -128.076 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: 9 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1806.544946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.544946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.544946 (E_RNA) where: Base-Base interactions energy: -1244.408 where: short stacking energy: -551.867 Base-Backbone interact. energy: 0.249 local terms energy: -562.386578 where: bonds (distance) C4'-P energy: -116.507 bonds (distance) P-C4' energy: -138.337 flat angles C4'-P-C4' energy: -132.369 flat angles P-C4'-P energy: -65.306 tors. eta vs tors. theta energy: -109.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1627.078874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.078874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.078874 (E_RNA) where: Base-Base interactions energy: -1050.861 where: short stacking energy: -466.738 Base-Backbone interact. energy: -4.144 local terms energy: -572.073856 where: bonds (distance) C4'-P energy: -132.180 bonds (distance) P-C4' energy: -130.590 flat angles C4'-P-C4' energy: -137.305 flat angles P-C4'-P energy: -78.800 tors. eta vs tors. theta energy: -93.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1475.140918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.140918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.140918 (E_RNA) where: Base-Base interactions energy: -946.293 where: short stacking energy: -422.881 Base-Backbone interact. energy: 3.522 local terms energy: -532.369568 where: bonds (distance) C4'-P energy: -124.013 bonds (distance) P-C4' energy: -141.905 flat angles C4'-P-C4' energy: -126.521 flat angles P-C4'-P energy: -72.635 tors. eta vs tors. theta energy: -67.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1053.930886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.930886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.930886 (E_RNA) where: Base-Base interactions energy: -597.344 where: short stacking energy: -322.136 Base-Backbone interact. energy: -1.981 local terms energy: -454.605538 where: bonds (distance) C4'-P energy: -118.848 bonds (distance) P-C4' energy: -130.557 flat angles C4'-P-C4' energy: -114.911 flat angles P-C4'-P energy: -65.462 tors. eta vs tors. theta energy: -24.827 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: 1, replica: 8 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2625.183853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.183853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.183853 (E_RNA) where: Base-Base interactions energy: -1786.693 where: short stacking energy: -828.114 Base-Backbone interact. energy: -3.208 local terms energy: -835.282758 where: bonds (distance) C4'-P energy: -155.876 bonds (distance) P-C4' energy: -174.753 flat angles C4'-P-C4' energy: -177.939 flat angles P-C4'-P energy: -120.700 tors. eta vs tors. theta energy: -206.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2604.671038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.671038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.671038 (E_RNA) where: Base-Base interactions energy: -1804.080 where: short stacking energy: -815.763 Base-Backbone interact. energy: 4.236 local terms energy: -804.826700 where: bonds (distance) C4'-P energy: -147.136 bonds (distance) P-C4' energy: -149.647 flat angles C4'-P-C4' energy: -176.610 flat angles P-C4'-P energy: -118.699 tors. eta vs tors. theta energy: -212.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2510.612478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.612478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.612478 (E_RNA) where: Base-Base interactions energy: -1722.418 where: short stacking energy: -778.756 Base-Backbone interact. energy: -2.103 local terms energy: -786.091534 where: bonds (distance) C4'-P energy: -149.230 bonds (distance) P-C4' energy: -147.766 flat angles C4'-P-C4' energy: -173.194 flat angles P-C4'-P energy: -120.391 tors. eta vs tors. theta energy: -195.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2225.237035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.237035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.237035 (E_RNA) where: Base-Base interactions energy: -1464.738 where: short stacking energy: -711.727 Base-Backbone interact. energy: -1.395 local terms energy: -759.104122 where: bonds (distance) C4'-P energy: -136.408 bonds (distance) P-C4' energy: -156.285 flat angles C4'-P-C4' energy: -169.495 flat angles P-C4'-P energy: -112.093 tors. eta vs tors. theta energy: -184.823 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: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2220.841622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.841622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.841622 (E_RNA) where: Base-Base interactions energy: -1516.061 where: short stacking energy: -679.150 Base-Backbone interact. energy: 1.774 local terms energy: -706.554764 where: bonds (distance) C4'-P energy: -140.001 bonds (distance) P-C4' energy: -166.462 flat angles C4'-P-C4' energy: -158.867 flat angles P-C4'-P energy: -90.939 tors. eta vs tors. theta energy: -150.286 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: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1950.020933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.020933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.020933 (E_RNA) where: Base-Base interactions energy: -1323.149 where: short stacking energy: -559.587 Base-Backbone interact. energy: -3.400 local terms energy: -623.472126 where: bonds (distance) C4'-P energy: -133.016 bonds (distance) P-C4' energy: -143.696 flat angles C4'-P-C4' energy: -162.288 flat angles P-C4'-P energy: -74.708 tors. eta vs tors. theta energy: -109.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1785.786314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.786314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.786314 (E_RNA) where: Base-Base interactions energy: -1222.861 where: short stacking energy: -537.761 Base-Backbone interact. energy: -0.294 local terms energy: -562.630645 where: bonds (distance) C4'-P energy: -140.577 bonds (distance) P-C4' energy: -117.755 flat angles C4'-P-C4' energy: -132.858 flat angles P-C4'-P energy: -82.964 tors. eta vs tors. theta energy: -88.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1659.967224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.967224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.967224 (E_RNA) where: Base-Base interactions energy: -1097.778 where: short stacking energy: -492.168 Base-Backbone interact. energy: 0.074 local terms energy: -562.263153 where: bonds (distance) C4'-P energy: -129.993 bonds (distance) P-C4' energy: -144.009 flat angles C4'-P-C4' energy: -142.457 flat angles P-C4'-P energy: -64.919 tors. eta vs tors. theta energy: -80.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1446.079155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.079155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.079155 (E_RNA) where: Base-Base interactions energy: -901.288 where: short stacking energy: -426.336 Base-Backbone interact. energy: 1.999 local terms energy: -546.790579 where: bonds (distance) C4'-P energy: -132.163 bonds (distance) P-C4' energy: -131.431 flat angles C4'-P-C4' energy: -127.477 flat angles P-C4'-P energy: -76.177 tors. eta vs tors. theta energy: -79.542 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: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1065.818566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.818566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.818566 (E_RNA) where: Base-Base interactions energy: -626.728 where: short stacking energy: -337.558 Base-Backbone interact. energy: 0.198 local terms energy: -439.288289 where: bonds (distance) C4'-P energy: -113.686 bonds (distance) P-C4' energy: -119.303 flat angles C4'-P-C4' energy: -108.014 flat angles P-C4'-P energy: -70.009 tors. eta vs tors. theta energy: -28.277 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: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2639.665274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.665274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.665274 (E_RNA) where: Base-Base interactions energy: -1816.241 where: short stacking energy: -787.423 Base-Backbone interact. energy: -2.535 local terms energy: -820.889391 where: bonds (distance) C4'-P energy: -161.136 bonds (distance) P-C4' energy: -166.315 flat angles C4'-P-C4' energy: -177.385 flat angles P-C4'-P energy: -125.943 tors. eta vs tors. theta energy: -190.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2640.017733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.017733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.017733 (E_RNA) where: Base-Base interactions energy: -1822.994 where: short stacking energy: -829.627 Base-Backbone interact. energy: -0.175 local terms energy: -816.849366 where: bonds (distance) C4'-P energy: -150.381 bonds (distance) P-C4' energy: -158.185 flat angles C4'-P-C4' energy: -182.565 flat angles P-C4'-P energy: -116.460 tors. eta vs tors. theta energy: -209.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2466.977531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.977531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.977531 (E_RNA) where: Base-Base interactions energy: -1683.290 where: short stacking energy: -738.298 Base-Backbone interact. energy: -3.426 local terms energy: -780.261235 where: bonds (distance) C4'-P energy: -153.760 bonds (distance) P-C4' energy: -155.113 flat angles C4'-P-C4' energy: -165.973 flat angles P-C4'-P energy: -110.445 tors. eta vs tors. theta energy: -194.971 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: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2299.304267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.304267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.304267 (E_RNA) where: Base-Base interactions energy: -1549.764 where: short stacking energy: -709.571 Base-Backbone interact. energy: -2.740 local terms energy: -746.799901 where: bonds (distance) C4'-P energy: -154.127 bonds (distance) P-C4' energy: -154.900 flat angles C4'-P-C4' energy: -154.400 flat angles P-C4'-P energy: -103.542 tors. eta vs tors. theta energy: -179.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2187.751453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.751453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.751453 (E_RNA) where: Base-Base interactions energy: -1503.716 where: short stacking energy: -671.426 Base-Backbone interact. energy: -0.564 local terms energy: -683.471291 where: bonds (distance) C4'-P energy: -142.740 bonds (distance) P-C4' energy: -147.667 flat angles C4'-P-C4' energy: -156.317 flat angles P-C4'-P energy: -92.104 tors. eta vs tors. theta energy: -144.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2002.137959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.137959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.137959 (E_RNA) where: Base-Base interactions energy: -1341.109 where: short stacking energy: -573.095 Base-Backbone interact. energy: -1.717 local terms energy: -659.312628 where: bonds (distance) C4'-P energy: -142.603 bonds (distance) P-C4' energy: -135.941 flat angles C4'-P-C4' energy: -150.004 flat angles P-C4'-P energy: -92.101 tors. eta vs tors. theta energy: -138.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1710.736713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.736713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.736713 (E_RNA) where: Base-Base interactions energy: -1154.142 where: short stacking energy: -544.467 Base-Backbone interact. energy: -2.426 local terms energy: -554.167908 where: bonds (distance) C4'-P energy: -111.097 bonds (distance) P-C4' energy: -137.214 flat angles C4'-P-C4' energy: -135.479 flat angles P-C4'-P energy: -74.165 tors. eta vs tors. theta energy: -96.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1743.200408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.200408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.200408 (E_RNA) where: Base-Base interactions energy: -1130.467 where: short stacking energy: -508.768 Base-Backbone interact. energy: -3.145 local terms energy: -609.587762 where: bonds (distance) C4'-P energy: -141.542 bonds (distance) P-C4' energy: -146.737 flat angles C4'-P-C4' energy: -144.672 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -95.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1495.690326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.690326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.690326 (E_RNA) where: Base-Base interactions energy: -941.806 where: short stacking energy: -429.274 Base-Backbone interact. energy: 0.560 local terms energy: -554.444467 where: bonds (distance) C4'-P energy: -146.023 bonds (distance) P-C4' energy: -147.175 flat angles C4'-P-C4' energy: -114.797 flat angles P-C4'-P energy: -80.947 tors. eta vs tors. theta energy: -65.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1196.990993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.990993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.990993 (E_RNA) where: Base-Base interactions energy: -737.061 where: short stacking energy: -375.989 Base-Backbone interact. energy: 5.048 local terms energy: -464.977951 where: bonds (distance) C4'-P energy: -120.783 bonds (distance) P-C4' energy: -134.566 flat angles C4'-P-C4' energy: -125.139 flat angles P-C4'-P energy: -60.788 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: 49 Temperature: 0.900000 Total energy: -2644.209663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.209663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.209663 (E_RNA) where: Base-Base interactions energy: -1824.622 where: short stacking energy: -800.265 Base-Backbone interact. energy: -1.925 local terms energy: -817.663219 where: bonds (distance) C4'-P energy: -154.402 bonds (distance) P-C4' energy: -147.073 flat angles C4'-P-C4' energy: -179.477 flat angles P-C4'-P energy: -123.281 tors. eta vs tors. theta energy: -213.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2669.379605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.379605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.379605 (E_RNA) where: Base-Base interactions energy: -1856.389 where: short stacking energy: -837.394 Base-Backbone interact. energy: 2.748 local terms energy: -815.738351 where: bonds (distance) C4'-P energy: -147.622 bonds (distance) P-C4' energy: -148.046 flat angles C4'-P-C4' energy: -182.872 flat angles P-C4'-P energy: -111.610 tors. eta vs tors. theta energy: -225.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2500.534542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.534542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.534542 (E_RNA) where: Base-Base interactions energy: -1706.373 where: short stacking energy: -784.079 Base-Backbone interact. energy: -2.973 local terms energy: -791.188587 where: bonds (distance) C4'-P energy: -157.467 bonds (distance) P-C4' energy: -159.303 flat angles C4'-P-C4' energy: -169.210 flat angles P-C4'-P energy: -112.068 tors. eta vs tors. theta energy: -193.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2290.286049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.286049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.286049 (E_RNA) where: Base-Base interactions energy: -1554.971 where: short stacking energy: -718.450 Base-Backbone interact. energy: -0.344 local terms energy: -734.970502 where: bonds (distance) C4'-P energy: -142.487 bonds (distance) P-C4' energy: -154.481 flat angles C4'-P-C4' energy: -177.596 flat angles P-C4'-P energy: -102.559 tors. eta vs tors. theta energy: -157.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2193.067706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.067706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.067706 (E_RNA) where: Base-Base interactions energy: -1454.566 where: short stacking energy: -673.745 Base-Backbone interact. energy: -4.082 local terms energy: -734.420118 where: bonds (distance) C4'-P energy: -154.219 bonds (distance) P-C4' energy: -152.317 flat angles C4'-P-C4' energy: -160.699 flat angles P-C4'-P energy: -89.473 tors. eta vs tors. theta energy: -177.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2027.325573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.325573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.325573 (E_RNA) where: Base-Base interactions energy: -1332.199 where: short stacking energy: -611.387 Base-Backbone interact. energy: -6.208 local terms energy: -688.919263 where: bonds (distance) C4'-P energy: -153.865 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -158.193 flat angles P-C4'-P energy: -93.799 tors. eta vs tors. theta energy: -142.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1815.599659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.599659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.599659 (E_RNA) where: Base-Base interactions energy: -1161.169 where: short stacking energy: -518.789 Base-Backbone interact. energy: -0.640 local terms energy: -653.789954 where: bonds (distance) C4'-P energy: -141.905 bonds (distance) P-C4' energy: -154.807 flat angles C4'-P-C4' energy: -151.831 flat angles P-C4'-P energy: -96.369 tors. eta vs tors. theta energy: -108.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1680.093621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.093621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.093621 (E_RNA) where: Base-Base interactions energy: -1144.905 where: short stacking energy: -490.832 Base-Backbone interact. energy: -2.290 local terms energy: -532.898690 where: bonds (distance) C4'-P energy: -140.328 bonds (distance) P-C4' energy: -129.906 flat angles C4'-P-C4' energy: -117.296 flat angles P-C4'-P energy: -82.383 tors. eta vs tors. theta energy: -62.985 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: 49 Temperature: 1.300000 Total energy: -1514.631113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.631113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.631113 (E_RNA) where: Base-Base interactions energy: -945.799 where: short stacking energy: -427.291 Base-Backbone interact. energy: -3.420 local terms energy: -565.412738 where: bonds (distance) C4'-P energy: -149.034 bonds (distance) P-C4' energy: -154.088 flat angles C4'-P-C4' energy: -133.741 flat angles P-C4'-P energy: -64.858 tors. eta vs tors. theta energy: -63.692 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: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1151.739584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.739584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.739584 (E_RNA) where: Base-Base interactions energy: -667.159 where: short stacking energy: -345.105 Base-Backbone interact. energy: 1.118 local terms energy: -485.698526 where: bonds (distance) C4'-P energy: -123.980 bonds (distance) P-C4' energy: -117.942 flat angles C4'-P-C4' energy: -115.172 flat angles P-C4'-P energy: -85.430 tors. eta vs tors. theta energy: -43.175 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: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2731.336284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.336284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.336284 (E_RNA) where: Base-Base interactions energy: -1896.380 where: short stacking energy: -858.265 Base-Backbone interact. energy: -1.369 local terms energy: -833.587311 where: bonds (distance) C4'-P energy: -134.285 bonds (distance) P-C4' energy: -160.683 flat angles C4'-P-C4' energy: -193.163 flat angles P-C4'-P energy: -130.275 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: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2571.119588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.119588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.119588 (E_RNA) where: Base-Base interactions energy: -1773.601 where: short stacking energy: -800.844 Base-Backbone interact. energy: -2.825 local terms energy: -794.693306 where: bonds (distance) C4'-P energy: -137.059 bonds (distance) P-C4' energy: -154.654 flat angles C4'-P-C4' energy: -176.563 flat angles P-C4'-P energy: -118.289 tors. eta vs tors. theta energy: -208.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2475.779013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.779013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.779013 (E_RNA) where: Base-Base interactions energy: -1725.947 where: short stacking energy: -761.789 Base-Backbone interact. energy: 0.180 local terms energy: -750.011962 where: bonds (distance) C4'-P energy: -156.983 bonds (distance) P-C4' energy: -134.971 flat angles C4'-P-C4' energy: -166.944 flat angles P-C4'-P energy: -110.507 tors. eta vs tors. theta energy: -180.608 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: 50 Temperature: 1.050000 Total energy: -2282.671077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.671077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.671077 (E_RNA) where: Base-Base interactions energy: -1547.726 where: short stacking energy: -699.446 Base-Backbone interact. energy: -4.316 local terms energy: -730.628951 where: bonds (distance) C4'-P energy: -142.749 bonds (distance) P-C4' energy: -148.211 flat angles C4'-P-C4' energy: -169.870 flat angles P-C4'-P energy: -104.858 tors. eta vs tors. theta energy: -164.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2091.614969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.614969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.614969 (E_RNA) where: Base-Base interactions energy: -1378.999 where: short stacking energy: -631.070 Base-Backbone interact. energy: -1.744 local terms energy: -710.871863 where: bonds (distance) C4'-P energy: -152.185 bonds (distance) P-C4' energy: -155.165 flat angles C4'-P-C4' energy: -155.089 flat angles P-C4'-P energy: -102.734 tors. eta vs tors. theta energy: -145.699 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: 50 Temperature: 1.150000 Total energy: -2028.717129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.717129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.717129 (E_RNA) where: Base-Base interactions energy: -1368.571 where: short stacking energy: -605.187 Base-Backbone interact. energy: -2.975 local terms energy: -657.171890 where: bonds (distance) C4'-P energy: -142.849 bonds (distance) P-C4' energy: -144.027 flat angles C4'-P-C4' energy: -154.675 flat angles P-C4'-P energy: -81.724 tors. eta vs tors. theta energy: -133.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1830.246959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.246959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.246959 (E_RNA) where: Base-Base interactions energy: -1233.480 where: short stacking energy: -548.902 Base-Backbone interact. energy: -0.711 local terms energy: -596.056022 where: bonds (distance) C4'-P energy: -144.885 bonds (distance) P-C4' energy: -133.483 flat angles C4'-P-C4' energy: -132.534 flat angles P-C4'-P energy: -82.971 tors. eta vs tors. theta energy: -102.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1752.438306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.438306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.438306 (E_RNA) where: Base-Base interactions energy: -1197.779 where: short stacking energy: -512.433 Base-Backbone interact. energy: -3.313 local terms energy: -551.346213 where: bonds (distance) C4'-P energy: -136.139 bonds (distance) P-C4' energy: -119.279 flat angles C4'-P-C4' energy: -113.961 flat angles P-C4'-P energy: -84.922 tors. eta vs tors. theta energy: -97.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1561.653030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.653030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.653030 (E_RNA) where: Base-Base interactions energy: -1011.021 where: short stacking energy: -470.266 Base-Backbone interact. energy: 2.908 local terms energy: -553.540117 where: bonds (distance) C4'-P energy: -107.386 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -134.412 flat angles P-C4'-P energy: -80.107 tors. eta vs tors. theta energy: -91.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1070.158438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.158438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.158438 (E_RNA) where: Base-Base interactions energy: -603.247 where: short stacking energy: -291.654 Base-Backbone interact. energy: 1.082 local terms energy: -467.992694 where: bonds (distance) C4'-P energy: -120.732 bonds (distance) P-C4' energy: -136.997 flat angles C4'-P-C4' energy: -118.517 flat angles P-C4'-P energy: -75.958 tors. eta vs tors. theta energy: -15.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2734.455500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.455500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.455500 (E_RNA) where: Base-Base interactions energy: -1898.487 where: short stacking energy: -848.888 Base-Backbone interact. energy: 0.535 local terms energy: -836.503842 where: bonds (distance) C4'-P energy: -160.018 bonds (distance) P-C4' energy: -178.600 flat angles C4'-P-C4' energy: -180.009 flat angles P-C4'-P energy: -116.828 tors. eta vs tors. theta energy: -201.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2597.668431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.668431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.668431 (E_RNA) where: Base-Base interactions energy: -1800.416 where: short stacking energy: -809.876 Base-Backbone interact. energy: -0.971 local terms energy: -796.280873 where: bonds (distance) C4'-P energy: -141.624 bonds (distance) P-C4' energy: -159.357 flat angles C4'-P-C4' energy: -176.124 flat angles P-C4'-P energy: -110.049 tors. eta vs tors. theta energy: -209.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2527.363763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.363763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.363763 (E_RNA) where: Base-Base interactions energy: -1732.112 where: short stacking energy: -773.757 Base-Backbone interact. energy: -7.742 local terms energy: -787.509557 where: bonds (distance) C4'-P energy: -150.690 bonds (distance) P-C4' energy: -164.709 flat angles C4'-P-C4' energy: -179.493 flat angles P-C4'-P energy: -103.097 tors. eta vs tors. theta energy: -189.521 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: 51 Temperature: 1.050000 Total energy: -2313.069314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.069314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.069314 (E_RNA) where: Base-Base interactions energy: -1564.763 where: short stacking energy: -724.857 Base-Backbone interact. energy: -5.245 local terms energy: -743.061623 where: bonds (distance) C4'-P energy: -146.222 bonds (distance) P-C4' energy: -147.086 flat angles C4'-P-C4' energy: -157.859 flat angles P-C4'-P energy: -104.509 tors. eta vs tors. theta energy: -187.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2100.602141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.602141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.602141 (E_RNA) where: Base-Base interactions energy: -1422.524 where: short stacking energy: -648.279 Base-Backbone interact. energy: 5.013 local terms energy: -683.091286 where: bonds (distance) C4'-P energy: -145.377 bonds (distance) P-C4' energy: -135.522 flat angles C4'-P-C4' energy: -153.987 flat angles P-C4'-P energy: -77.612 tors. eta vs tors. theta energy: -170.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2024.293071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.293071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.293071 (E_RNA) where: Base-Base interactions energy: -1360.365 where: short stacking energy: -602.635 Base-Backbone interact. energy: -2.146 local terms energy: -661.782716 where: bonds (distance) C4'-P energy: -134.575 bonds (distance) P-C4' energy: -151.563 flat angles C4'-P-C4' energy: -160.935 flat angles P-C4'-P energy: -94.006 tors. eta vs tors. theta energy: -120.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -2008.188030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.188030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.188030 (E_RNA) where: Base-Base interactions energy: -1412.784 where: short stacking energy: -606.861 Base-Backbone interact. energy: -3.279 local terms energy: -592.125062 where: bonds (distance) C4'-P energy: -118.208 bonds (distance) P-C4' energy: -122.842 flat angles C4'-P-C4' energy: -141.111 flat angles P-C4'-P energy: -84.487 tors. eta vs tors. theta energy: -125.478 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: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1708.730504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.730504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.730504 (E_RNA) where: Base-Base interactions energy: -1145.436 where: short stacking energy: -498.042 Base-Backbone interact. energy: -0.499 local terms energy: -562.795348 where: bonds (distance) C4'-P energy: -96.509 bonds (distance) P-C4' energy: -134.437 flat angles C4'-P-C4' energy: -145.057 flat angles P-C4'-P energy: -85.874 tors. eta vs tors. theta energy: -100.918 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: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1600.023281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.023281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.023281 (E_RNA) where: Base-Base interactions energy: -1028.129 where: short stacking energy: -468.361 Base-Backbone interact. energy: -3.037 local terms energy: -568.857762 where: bonds (distance) C4'-P energy: -137.331 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -145.569 flat angles P-C4'-P energy: -85.081 tors. eta vs tors. theta energy: -70.973 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: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1124.827016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.827016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.827016 (E_RNA) where: Base-Base interactions energy: -650.842 where: short stacking energy: -366.668 Base-Backbone interact. energy: 4.067 local terms energy: -478.051838 where: bonds (distance) C4'-P energy: -131.665 bonds (distance) P-C4' energy: -124.491 flat angles C4'-P-C4' energy: -121.152 flat angles P-C4'-P energy: -63.385 tors. eta vs tors. theta energy: -37.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2754.212966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.212966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.212966 (E_RNA) where: Base-Base interactions energy: -1894.173 where: short stacking energy: -867.538 Base-Backbone interact. energy: -1.095 local terms energy: -858.944669 where: bonds (distance) C4'-P energy: -140.638 bonds (distance) P-C4' energy: -174.862 flat angles C4'-P-C4' energy: -182.835 flat angles P-C4'-P energy: -134.793 tors. eta vs tors. theta energy: -225.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2576.985590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.985590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.985590 (E_RNA) where: Base-Base interactions energy: -1775.745 where: short stacking energy: -812.132 Base-Backbone interact. energy: -3.434 local terms energy: -797.806213 where: bonds (distance) C4'-P energy: -168.051 bonds (distance) P-C4' energy: -144.181 flat angles C4'-P-C4' energy: -170.684 flat angles P-C4'-P energy: -106.092 tors. eta vs tors. theta energy: -208.798 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: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2461.430955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.430955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.430955 (E_RNA) where: Base-Base interactions energy: -1715.519 where: short stacking energy: -767.217 Base-Backbone interact. energy: -0.210 local terms energy: -745.701720 where: bonds (distance) C4'-P energy: -151.262 bonds (distance) P-C4' energy: -154.055 flat angles C4'-P-C4' energy: -159.537 flat angles P-C4'-P energy: -101.527 tors. eta vs tors. theta energy: -179.320 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: 52 Temperature: 1.050000 Total energy: -2277.600474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.600474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.600474 (E_RNA) where: Base-Base interactions energy: -1558.991 where: short stacking energy: -694.590 Base-Backbone interact. energy: -4.555 local terms energy: -714.054824 where: bonds (distance) C4'-P energy: -119.480 bonds (distance) P-C4' energy: -153.620 flat angles C4'-P-C4' energy: -171.952 flat angles P-C4'-P energy: -97.702 tors. eta vs tors. theta energy: -171.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2215.338897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.338897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.338897 (E_RNA) where: Base-Base interactions energy: -1493.771 where: short stacking energy: -676.839 Base-Backbone interact. energy: 1.374 local terms energy: -722.941982 where: bonds (distance) C4'-P energy: -152.599 bonds (distance) P-C4' energy: -154.915 flat angles C4'-P-C4' energy: -150.237 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -161.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1945.077361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.077361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.077361 (E_RNA) where: Base-Base interactions energy: -1309.611 where: short stacking energy: -561.715 Base-Backbone interact. energy: -3.911 local terms energy: -631.555242 where: bonds (distance) C4'-P energy: -130.873 bonds (distance) P-C4' energy: -150.601 flat angles C4'-P-C4' energy: -150.818 flat angles P-C4'-P energy: -94.153 tors. eta vs tors. theta energy: -105.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -2012.650063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.650063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.650063 (E_RNA) where: Base-Base interactions energy: -1358.270 where: short stacking energy: -607.280 Base-Backbone interact. energy: 0.813 local terms energy: -655.193597 where: bonds (distance) C4'-P energy: -133.838 bonds (distance) P-C4' energy: -144.478 flat angles C4'-P-C4' energy: -150.918 flat angles P-C4'-P energy: -81.542 tors. eta vs tors. theta energy: -144.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1731.550380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.550380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.550380 (E_RNA) where: Base-Base interactions energy: -1171.648 where: short stacking energy: -506.968 Base-Backbone interact. energy: 14.730 local terms energy: -574.632693 where: bonds (distance) C4'-P energy: -113.037 bonds (distance) P-C4' energy: -138.342 flat angles C4'-P-C4' energy: -146.343 flat angles P-C4'-P energy: -82.046 tors. eta vs tors. theta energy: -94.865 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: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1544.839638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.839638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.839638 (E_RNA) where: Base-Base interactions energy: -988.873 where: short stacking energy: -454.165 Base-Backbone interact. energy: -1.419 local terms energy: -554.547189 where: bonds (distance) C4'-P energy: -112.276 bonds (distance) P-C4' energy: -135.792 flat angles C4'-P-C4' energy: -142.765 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -83.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1193.821758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.821758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.821758 (E_RNA) where: Base-Base interactions energy: -740.621 where: short stacking energy: -351.895 Base-Backbone interact. energy: 2.065 local terms energy: -455.266124 where: bonds (distance) C4'-P energy: -113.711 bonds (distance) P-C4' energy: -138.421 flat angles C4'-P-C4' energy: -102.844 flat angles P-C4'-P energy: -72.427 tors. eta vs tors. theta energy: -27.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2805.520988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.520988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.520988 (E_RNA) where: Base-Base interactions energy: -1949.082 where: short stacking energy: -890.335 Base-Backbone interact. energy: -3.665 local terms energy: -852.774735 where: bonds (distance) C4'-P energy: -150.278 bonds (distance) P-C4' energy: -157.952 flat angles C4'-P-C4' energy: -181.498 flat angles P-C4'-P energy: -128.861 tors. eta vs tors. theta energy: -234.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2577.561229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.561229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.561229 (E_RNA) where: Base-Base interactions energy: -1754.169 where: short stacking energy: -828.278 Base-Backbone interact. energy: -3.713 local terms energy: -819.679410 where: bonds (distance) C4'-P energy: -157.110 bonds (distance) P-C4' energy: -161.210 flat angles C4'-P-C4' energy: -168.583 flat angles P-C4'-P energy: -119.889 tors. eta vs tors. theta energy: -212.887 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: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2487.607576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.607576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.607576 (E_RNA) where: Base-Base interactions energy: -1725.683 where: short stacking energy: -734.994 Base-Backbone interact. energy: -5.510 local terms energy: -756.415122 where: bonds (distance) C4'-P energy: -137.225 bonds (distance) P-C4' energy: -154.640 flat angles C4'-P-C4' energy: -167.016 flat angles P-C4'-P energy: -110.882 tors. eta vs tors. theta energy: -186.652 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: 53 Temperature: 1.050000 Total energy: -2295.078454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.078454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.078454 (E_RNA) where: Base-Base interactions energy: -1594.640 where: short stacking energy: -727.162 Base-Backbone interact. energy: -1.194 local terms energy: -699.244872 where: bonds (distance) C4'-P energy: -133.317 bonds (distance) P-C4' energy: -127.705 flat angles C4'-P-C4' energy: -159.384 flat angles P-C4'-P energy: -102.136 tors. eta vs tors. theta energy: -176.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2175.380456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.380456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.380456 (E_RNA) where: Base-Base interactions energy: -1487.286 where: short stacking energy: -625.246 Base-Backbone interact. energy: -2.027 local terms energy: -686.067695 where: bonds (distance) C4'-P energy: -147.612 bonds (distance) P-C4' energy: -150.639 flat angles C4'-P-C4' energy: -148.950 flat angles P-C4'-P energy: -95.395 tors. eta vs tors. theta energy: -143.472 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: 6, replica: 10 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2078.075559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.075559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.075559 (E_RNA) where: Base-Base interactions energy: -1412.747 where: short stacking energy: -627.119 Base-Backbone interact. energy: -2.171 local terms energy: -663.158228 where: bonds (distance) C4'-P energy: -121.526 bonds (distance) P-C4' energy: -155.399 flat angles C4'-P-C4' energy: -145.273 flat angles P-C4'-P energy: -102.912 tors. eta vs tors. theta energy: -138.049 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: 53 Temperature: 1.200000 Total energy: -1839.936538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.936538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.936538 (E_RNA) where: Base-Base interactions energy: -1224.981 where: short stacking energy: -541.805 Base-Backbone interact. energy: -0.319 local terms energy: -614.636608 where: bonds (distance) C4'-P energy: -134.501 bonds (distance) P-C4' energy: -138.231 flat angles C4'-P-C4' energy: -139.668 flat angles P-C4'-P energy: -90.515 tors. eta vs tors. theta energy: -111.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1738.299058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.299058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.299058 (E_RNA) where: Base-Base interactions energy: -1165.173 where: short stacking energy: -500.863 Base-Backbone interact. energy: -3.570 local terms energy: -569.556030 where: bonds (distance) C4'-P energy: -127.436 bonds (distance) P-C4' energy: -132.675 flat angles C4'-P-C4' energy: -122.156 flat angles P-C4'-P energy: -89.361 tors. eta vs tors. theta energy: -97.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1494.460843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.460843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.460843 (E_RNA) where: Base-Base interactions energy: -938.130 where: short stacking energy: -441.580 Base-Backbone interact. energy: -0.867 local terms energy: -555.464561 where: bonds (distance) C4'-P energy: -136.424 bonds (distance) P-C4' energy: -132.803 flat angles C4'-P-C4' energy: -135.527 flat angles P-C4'-P energy: -79.661 tors. eta vs tors. theta energy: -71.050 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: 53 Temperature: 1.350000 Total energy: -1191.383549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.383549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.383549 (E_RNA) where: Base-Base interactions energy: -740.552 where: short stacking energy: -330.898 Base-Backbone interact. energy: 1.401 local terms energy: -452.233042 where: bonds (distance) C4'-P energy: -110.163 bonds (distance) P-C4' energy: -133.533 flat angles C4'-P-C4' energy: -127.372 flat angles P-C4'-P energy: -61.654 tors. eta vs tors. theta energy: -19.510 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: 1, replica: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2835.725005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.725005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.725005 (E_RNA) where: Base-Base interactions energy: -1973.047 where: short stacking energy: -896.658 Base-Backbone interact. energy: -3.891 local terms energy: -858.786480 where: bonds (distance) C4'-P energy: -155.031 bonds (distance) P-C4' energy: -158.689 flat angles C4'-P-C4' energy: -177.381 flat angles P-C4'-P energy: -129.707 tors. eta vs tors. theta energy: -237.979 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: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2574.868509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.868509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.868509 (E_RNA) where: Base-Base interactions energy: -1802.017 where: short stacking energy: -782.451 Base-Backbone interact. energy: 2.388 local terms energy: -775.239093 where: bonds (distance) C4'-P energy: -143.472 bonds (distance) P-C4' energy: -149.540 flat angles C4'-P-C4' energy: -170.827 flat angles P-C4'-P energy: -122.693 tors. eta vs tors. theta energy: -188.708 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: 3, replica: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2454.161911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.161911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.161911 (E_RNA) where: Base-Base interactions energy: -1676.207 where: short stacking energy: -727.896 Base-Backbone interact. energy: -1.232 local terms energy: -776.722417 where: bonds (distance) C4'-P energy: -149.270 bonds (distance) P-C4' energy: -154.292 flat angles C4'-P-C4' energy: -174.338 flat angles P-C4'-P energy: -113.148 tors. eta vs tors. theta energy: -185.674 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: 54 Temperature: 1.050000 Total energy: -2251.403720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.403720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.403720 (E_RNA) where: Base-Base interactions energy: -1555.599 where: short stacking energy: -681.368 Base-Backbone interact. energy: 1.958 local terms energy: -697.761967 where: bonds (distance) C4'-P energy: -157.088 bonds (distance) P-C4' energy: -124.815 flat angles C4'-P-C4' energy: -157.872 flat angles P-C4'-P energy: -100.739 tors. eta vs tors. theta energy: -157.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2197.264197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.264197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.264197 (E_RNA) where: Base-Base interactions energy: -1465.283 where: short stacking energy: -654.251 Base-Backbone interact. energy: -5.642 local terms energy: -726.339221 where: bonds (distance) C4'-P energy: -147.768 bonds (distance) P-C4' energy: -147.558 flat angles C4'-P-C4' energy: -163.622 flat angles P-C4'-P energy: -113.672 tors. eta vs tors. theta energy: -153.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2089.169502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.169502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.169502 (E_RNA) where: Base-Base interactions energy: -1418.930 where: short stacking energy: -595.628 Base-Backbone interact. energy: -0.483 local terms energy: -669.756590 where: bonds (distance) C4'-P energy: -144.167 bonds (distance) P-C4' energy: -144.284 flat angles C4'-P-C4' energy: -133.333 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -139.423 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: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1947.652752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.652752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.652752 (E_RNA) where: Base-Base interactions energy: -1303.490 where: short stacking energy: -572.066 Base-Backbone interact. energy: 0.949 local terms energy: -645.111982 where: bonds (distance) C4'-P energy: -129.998 bonds (distance) P-C4' energy: -151.474 flat angles C4'-P-C4' energy: -151.334 flat angles P-C4'-P energy: -89.740 tors. eta vs tors. theta energy: -122.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1758.171285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.171285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.171285 (E_RNA) where: Base-Base interactions energy: -1198.217 where: short stacking energy: -512.856 Base-Backbone interact. energy: -3.833 local terms energy: -556.120609 where: bonds (distance) C4'-P energy: -114.429 bonds (distance) P-C4' energy: -137.966 flat angles C4'-P-C4' energy: -128.588 flat angles P-C4'-P energy: -70.181 tors. eta vs tors. theta energy: -104.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1589.166413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.166413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.166413 (E_RNA) where: Base-Base interactions energy: -1053.430 where: short stacking energy: -490.980 Base-Backbone interact. energy: -0.022 local terms energy: -535.714743 where: bonds (distance) C4'-P energy: -115.213 bonds (distance) P-C4' energy: -144.115 flat angles C4'-P-C4' energy: -149.297 flat angles P-C4'-P energy: -53.501 tors. eta vs tors. theta energy: -73.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1231.465562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.465562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.465562 (E_RNA) where: Base-Base interactions energy: -780.909 where: short stacking energy: -388.933 Base-Backbone interact. energy: -0.849 local terms energy: -449.707677 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -107.831 flat angles C4'-P-C4' energy: -106.167 flat angles P-C4'-P energy: -73.673 tors. eta vs tors. theta energy: -40.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2811.849036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.849036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.849036 (E_RNA) where: Base-Base interactions energy: -1964.958 where: short stacking energy: -869.362 Base-Backbone interact. energy: -1.411 local terms energy: -845.479907 where: bonds (distance) C4'-P energy: -155.163 bonds (distance) P-C4' energy: -165.653 flat angles C4'-P-C4' energy: -175.530 flat angles P-C4'-P energy: -128.700 tors. eta vs tors. theta energy: -220.434 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: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2592.435314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.435314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.435314 (E_RNA) where: Base-Base interactions energy: -1831.044 where: short stacking energy: -787.458 Base-Backbone interact. energy: -0.172 local terms energy: -761.218690 where: bonds (distance) C4'-P energy: -139.535 bonds (distance) P-C4' energy: -138.771 flat angles C4'-P-C4' energy: -168.779 flat angles P-C4'-P energy: -109.395 tors. eta vs tors. theta energy: -204.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2545.227345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.227345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.227345 (E_RNA) where: Base-Base interactions energy: -1751.365 where: short stacking energy: -778.152 Base-Backbone interact. energy: -2.610 local terms energy: -791.252764 where: bonds (distance) C4'-P energy: -149.906 bonds (distance) P-C4' energy: -158.959 flat angles C4'-P-C4' energy: -179.530 flat angles P-C4'-P energy: -108.391 tors. eta vs tors. theta energy: -194.466 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: 55 Temperature: 1.050000 Total energy: -2249.718675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.718675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.718675 (E_RNA) where: Base-Base interactions energy: -1523.314 where: short stacking energy: -679.771 Base-Backbone interact. energy: -1.921 local terms energy: -724.483686 where: bonds (distance) C4'-P energy: -161.409 bonds (distance) P-C4' energy: -135.629 flat angles C4'-P-C4' energy: -164.490 flat angles P-C4'-P energy: -107.377 tors. eta vs tors. theta energy: -155.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2143.888811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.888811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.888811 (E_RNA) where: Base-Base interactions energy: -1455.136 where: short stacking energy: -689.727 Base-Backbone interact. energy: -3.408 local terms energy: -685.345154 where: bonds (distance) C4'-P energy: -130.948 bonds (distance) P-C4' energy: -142.838 flat angles C4'-P-C4' energy: -154.169 flat angles P-C4'-P energy: -85.316 tors. eta vs tors. theta energy: -172.075 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: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2056.035252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.035252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.035252 (E_RNA) where: Base-Base interactions energy: -1358.472 where: short stacking energy: -604.182 Base-Backbone interact. energy: -4.043 local terms energy: -693.520361 where: bonds (distance) C4'-P energy: -133.393 bonds (distance) P-C4' energy: -155.483 flat angles C4'-P-C4' energy: -162.298 flat angles P-C4'-P energy: -106.811 tors. eta vs tors. theta energy: -135.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1966.657059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.657059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.657059 (E_RNA) where: Base-Base interactions energy: -1324.971 where: short stacking energy: -601.284 Base-Backbone interact. energy: -2.342 local terms energy: -639.343576 where: bonds (distance) C4'-P energy: -122.649 bonds (distance) P-C4' energy: -138.151 flat angles C4'-P-C4' energy: -140.821 flat angles P-C4'-P energy: -94.870 tors. eta vs tors. theta energy: -142.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1728.856331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.856331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.856331 (E_RNA) where: Base-Base interactions energy: -1124.201 where: short stacking energy: -460.869 Base-Backbone interact. energy: -3.891 local terms energy: -600.764512 where: bonds (distance) C4'-P energy: -141.171 bonds (distance) P-C4' energy: -137.350 flat angles C4'-P-C4' energy: -133.078 flat angles P-C4'-P energy: -94.838 tors. eta vs tors. theta energy: -94.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1588.050660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.050660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.050660 (E_RNA) where: Base-Base interactions energy: -1026.092 where: short stacking energy: -471.241 Base-Backbone interact. energy: -3.189 local terms energy: -558.770090 where: bonds (distance) C4'-P energy: -113.339 bonds (distance) P-C4' energy: -128.943 flat angles C4'-P-C4' energy: -146.449 flat angles P-C4'-P energy: -82.495 tors. eta vs tors. theta energy: -87.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1320.844450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.844450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.844450 (E_RNA) where: Base-Base interactions energy: -834.795 where: short stacking energy: -380.413 Base-Backbone interact. energy: 0.299 local terms energy: -486.347822 where: bonds (distance) C4'-P energy: -131.703 bonds (distance) P-C4' energy: -119.705 flat angles C4'-P-C4' energy: -132.896 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: -37.182 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: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2856.832261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.832261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.832261 (E_RNA) where: Base-Base interactions energy: -1994.207 where: short stacking energy: -870.369 Base-Backbone interact. energy: -4.462 local terms energy: -858.162935 where: bonds (distance) C4'-P energy: -146.396 bonds (distance) P-C4' energy: -177.872 flat angles C4'-P-C4' energy: -178.784 flat angles P-C4'-P energy: -128.242 tors. eta vs tors. theta energy: -226.869 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: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2630.670268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.670268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.670268 (E_RNA) where: Base-Base interactions energy: -1803.722 where: short stacking energy: -805.312 Base-Backbone interact. energy: -3.907 local terms energy: -823.041327 where: bonds (distance) C4'-P energy: -162.264 bonds (distance) P-C4' energy: -157.748 flat angles C4'-P-C4' energy: -172.826 flat angles P-C4'-P energy: -116.230 tors. eta vs tors. theta energy: -213.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2564.893346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.893346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.893346 (E_RNA) where: Base-Base interactions energy: -1803.299 where: short stacking energy: -769.096 Base-Backbone interact. energy: -6.012 local terms energy: -755.581713 where: bonds (distance) C4'-P energy: -130.221 bonds (distance) P-C4' energy: -153.941 flat angles C4'-P-C4' energy: -155.190 flat angles P-C4'-P energy: -104.646 tors. eta vs tors. theta energy: -211.584 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: 56 Temperature: 1.050000 Total energy: -2280.908323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.908323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.908323 (E_RNA) where: Base-Base interactions energy: -1560.734 where: short stacking energy: -689.532 Base-Backbone interact. energy: -1.636 local terms energy: -718.538180 where: bonds (distance) C4'-P energy: -139.052 bonds (distance) P-C4' energy: -155.157 flat angles C4'-P-C4' energy: -154.164 flat angles P-C4'-P energy: -90.891 tors. eta vs tors. theta energy: -179.274 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: 56 Temperature: 1.100000 Total energy: -2157.434787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.434787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.434787 (E_RNA) where: Base-Base interactions energy: -1435.318 where: short stacking energy: -655.313 Base-Backbone interact. energy: -2.350 local terms energy: -719.766447 where: bonds (distance) C4'-P energy: -155.983 bonds (distance) P-C4' energy: -138.868 flat angles C4'-P-C4' energy: -153.659 flat angles P-C4'-P energy: -108.122 tors. eta vs tors. theta energy: -163.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2148.855645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.855645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.855645 (E_RNA) where: Base-Base interactions energy: -1447.795 where: short stacking energy: -647.931 Base-Backbone interact. energy: -2.637 local terms energy: -698.423930 where: bonds (distance) C4'-P energy: -141.388 bonds (distance) P-C4' energy: -147.311 flat angles C4'-P-C4' energy: -153.533 flat angles P-C4'-P energy: -96.994 tors. eta vs tors. theta energy: -159.197 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: 7, replica: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -2005.580140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.580140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.580140 (E_RNA) where: Base-Base interactions energy: -1372.893 where: short stacking energy: -599.251 Base-Backbone interact. energy: 2.453 local terms energy: -635.139459 where: bonds (distance) C4'-P energy: -132.502 bonds (distance) P-C4' energy: -121.090 flat angles C4'-P-C4' energy: -147.053 flat angles P-C4'-P energy: -103.614 tors. eta vs tors. theta energy: -130.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1639.108051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.108051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.108051 (E_RNA) where: Base-Base interactions energy: -1076.040 where: short stacking energy: -450.459 Base-Backbone interact. energy: -3.346 local terms energy: -559.722300 where: bonds (distance) C4'-P energy: -114.211 bonds (distance) P-C4' energy: -147.017 flat angles C4'-P-C4' energy: -130.062 flat angles P-C4'-P energy: -83.174 tors. eta vs tors. theta energy: -85.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1429.975449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.975449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.975449 (E_RNA) where: Base-Base interactions energy: -883.299 where: short stacking energy: -448.443 Base-Backbone interact. energy: 5.370 local terms energy: -552.046007 where: bonds (distance) C4'-P energy: -131.234 bonds (distance) P-C4' energy: -136.091 flat angles C4'-P-C4' energy: -120.864 flat angles P-C4'-P energy: -79.473 tors. eta vs tors. theta energy: -84.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1394.828646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.828646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.828646 (E_RNA) where: Base-Base interactions energy: -922.408 where: short stacking energy: -404.862 Base-Backbone interact. energy: -4.792 local terms energy: -467.629098 where: bonds (distance) C4'-P energy: -107.980 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -114.190 flat angles P-C4'-P energy: -72.284 tors. eta vs tors. theta energy: -47.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2835.058229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.058229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.058229 (E_RNA) where: Base-Base interactions energy: -1969.414 where: short stacking energy: -868.466 Base-Backbone interact. energy: -4.393 local terms energy: -861.251250 where: bonds (distance) C4'-P energy: -160.170 bonds (distance) P-C4' energy: -162.220 flat angles C4'-P-C4' energy: -170.026 flat angles P-C4'-P energy: -130.193 tors. eta vs tors. theta energy: -238.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2655.098424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.098424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.098424 (E_RNA) where: Base-Base interactions energy: -1835.967 where: short stacking energy: -806.533 Base-Backbone interact. energy: -4.814 local terms energy: -814.316997 where: bonds (distance) C4'-P energy: -154.912 bonds (distance) P-C4' energy: -155.542 flat angles C4'-P-C4' energy: -177.549 flat angles P-C4'-P energy: -117.818 tors. eta vs tors. theta energy: -208.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2512.204381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.204381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.204381 (E_RNA) where: Base-Base interactions energy: -1736.258 where: short stacking energy: -773.039 Base-Backbone interact. energy: 1.590 local terms energy: -777.536386 where: bonds (distance) C4'-P energy: -151.967 bonds (distance) P-C4' energy: -150.420 flat angles C4'-P-C4' energy: -167.356 flat angles P-C4'-P energy: -107.250 tors. eta vs tors. theta energy: -200.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2322.336013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.336013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.336013 (E_RNA) where: Base-Base interactions energy: -1613.713 where: short stacking energy: -728.859 Base-Backbone interact. energy: -5.146 local terms energy: -703.476931 where: bonds (distance) C4'-P energy: -126.380 bonds (distance) P-C4' energy: -127.736 flat angles C4'-P-C4' energy: -171.444 flat angles P-C4'-P energy: -115.095 tors. eta vs tors. theta energy: -162.822 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: 57 Temperature: 1.100000 Total energy: -2147.189812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.189812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.189812 (E_RNA) where: Base-Base interactions energy: -1423.689 where: short stacking energy: -679.225 Base-Backbone interact. energy: -3.192 local terms energy: -720.309259 where: bonds (distance) C4'-P energy: -139.958 bonds (distance) P-C4' energy: -160.511 flat angles C4'-P-C4' energy: -145.999 flat angles P-C4'-P energy: -108.456 tors. eta vs tors. theta energy: -165.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2136.822157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.822157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.822157 (E_RNA) where: Base-Base interactions energy: -1460.920 where: short stacking energy: -628.514 Base-Backbone interact. energy: -1.796 local terms energy: -674.106767 where: bonds (distance) C4'-P energy: -156.716 bonds (distance) P-C4' energy: -141.338 flat angles C4'-P-C4' energy: -146.273 flat angles P-C4'-P energy: -91.271 tors. eta vs tors. theta energy: -138.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1989.157489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.157489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.157489 (E_RNA) where: Base-Base interactions energy: -1333.002 where: short stacking energy: -587.821 Base-Backbone interact. energy: -1.623 local terms energy: -654.532403 where: bonds (distance) C4'-P energy: -129.694 bonds (distance) P-C4' energy: -145.221 flat angles C4'-P-C4' energy: -151.055 flat angles P-C4'-P energy: -89.473 tors. eta vs tors. theta energy: -139.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1572.819121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.819121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.819121 (E_RNA) where: Base-Base interactions energy: -1002.820 where: short stacking energy: -474.775 Base-Backbone interact. energy: -2.352 local terms energy: -567.646648 where: bonds (distance) C4'-P energy: -130.710 bonds (distance) P-C4' energy: -129.410 flat angles C4'-P-C4' energy: -147.472 flat angles P-C4'-P energy: -79.046 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: 9, replica: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1430.731142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.731142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.731142 (E_RNA) where: Base-Base interactions energy: -933.177 where: short stacking energy: -445.446 Base-Backbone interact. energy: -2.821 local terms energy: -494.733494 where: bonds (distance) C4'-P energy: -116.646 bonds (distance) P-C4' energy: -116.264 flat angles C4'-P-C4' energy: -112.355 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -75.439 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: 3 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1396.315110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.315110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.315110 (E_RNA) where: Base-Base interactions energy: -899.432 where: short stacking energy: -445.416 Base-Backbone interact. energy: 0.314 local terms energy: -497.197161 where: bonds (distance) C4'-P energy: -87.372 bonds (distance) P-C4' energy: -126.766 flat angles C4'-P-C4' energy: -126.100 flat angles P-C4'-P energy: -76.961 tors. eta vs tors. theta energy: -79.997 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: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2825.938390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.938390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.938390 (E_RNA) where: Base-Base interactions energy: -1959.485 where: short stacking energy: -851.979 Base-Backbone interact. energy: -2.737 local terms energy: -863.716209 where: bonds (distance) C4'-P energy: -147.700 bonds (distance) P-C4' energy: -168.767 flat angles C4'-P-C4' energy: -188.346 flat angles P-C4'-P energy: -128.699 tors. eta vs tors. theta energy: -230.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2651.421772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.421772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.421772 (E_RNA) where: Base-Base interactions energy: -1837.965 where: short stacking energy: -804.187 Base-Backbone interact. energy: -5.834 local terms energy: -807.622637 where: bonds (distance) C4'-P energy: -151.762 bonds (distance) P-C4' energy: -168.572 flat angles C4'-P-C4' energy: -174.018 flat angles P-C4'-P energy: -102.918 tors. eta vs tors. theta energy: -210.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2506.356705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.356705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.356705 (E_RNA) where: Base-Base interactions energy: -1729.860 where: short stacking energy: -743.328 Base-Backbone interact. energy: 3.871 local terms energy: -780.366984 where: bonds (distance) C4'-P energy: -136.803 bonds (distance) P-C4' energy: -152.567 flat angles C4'-P-C4' energy: -184.024 flat angles P-C4'-P energy: -109.913 tors. eta vs tors. theta energy: -197.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2355.866220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.866220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.866220 (E_RNA) where: Base-Base interactions energy: -1622.150 where: short stacking energy: -734.564 Base-Backbone interact. energy: -1.496 local terms energy: -732.219978 where: bonds (distance) C4'-P energy: -137.072 bonds (distance) P-C4' energy: -151.830 flat angles C4'-P-C4' energy: -159.666 flat angles P-C4'-P energy: -103.238 tors. eta vs tors. theta energy: -180.415 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: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2210.830410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.830410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.830410 (E_RNA) where: Base-Base interactions energy: -1496.995 where: short stacking energy: -682.941 Base-Backbone interact. energy: 0.892 local terms energy: -714.727416 where: bonds (distance) C4'-P energy: -137.393 bonds (distance) P-C4' energy: -132.309 flat angles C4'-P-C4' energy: -162.989 flat angles P-C4'-P energy: -109.135 tors. eta vs tors. theta energy: -172.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2042.558493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.558493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.558493 (E_RNA) where: Base-Base interactions energy: -1370.330 where: short stacking energy: -660.693 Base-Backbone interact. energy: 1.225 local terms energy: -673.453857 where: bonds (distance) C4'-P energy: -121.237 bonds (distance) P-C4' energy: -145.865 flat angles C4'-P-C4' energy: -148.380 flat angles P-C4'-P energy: -91.283 tors. eta vs tors. theta energy: -166.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1917.675474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.675474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.675474 (E_RNA) where: Base-Base interactions energy: -1327.435 where: short stacking energy: -572.668 Base-Backbone interact. energy: -0.453 local terms energy: -589.787157 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -133.160 flat angles C4'-P-C4' energy: -142.328 flat angles P-C4'-P energy: -67.229 tors. eta vs tors. theta energy: -117.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1541.031772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.031772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.031772 (E_RNA) where: Base-Base interactions energy: -970.779 where: short stacking energy: -463.390 Base-Backbone interact. energy: -1.238 local terms energy: -569.014891 where: bonds (distance) C4'-P energy: -134.528 bonds (distance) P-C4' energy: -125.725 flat angles C4'-P-C4' energy: -149.266 flat angles P-C4'-P energy: -67.164 tors. eta vs tors. theta energy: -92.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1504.877710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.877710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.877710 (E_RNA) where: Base-Base interactions energy: -977.313 where: short stacking energy: -452.287 Base-Backbone interact. energy: 3.006 local terms energy: -530.570722 where: bonds (distance) C4'-P energy: -123.951 bonds (distance) P-C4' energy: -116.809 flat angles C4'-P-C4' energy: -130.264 flat angles P-C4'-P energy: -81.158 tors. eta vs tors. theta energy: -78.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1415.471622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.471622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.471622 (E_RNA) where: Base-Base interactions energy: -920.332 where: short stacking energy: -420.710 Base-Backbone interact. energy: 2.360 local terms energy: -497.499389 where: bonds (distance) C4'-P energy: -124.237 bonds (distance) P-C4' energy: -112.478 flat angles C4'-P-C4' energy: -107.215 flat angles P-C4'-P energy: -90.779 tors. eta vs tors. theta energy: -62.790 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: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2825.188741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.188741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.188741 (E_RNA) where: Base-Base interactions energy: -1990.705 where: short stacking energy: -872.977 Base-Backbone interact. energy: -5.951 local terms energy: -828.532929 where: bonds (distance) C4'-P energy: -165.257 bonds (distance) P-C4' energy: -136.980 flat angles C4'-P-C4' energy: -181.308 flat angles P-C4'-P energy: -118.537 tors. eta vs tors. theta energy: -226.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2642.228237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.228237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.228237 (E_RNA) where: Base-Base interactions energy: -1849.797 where: short stacking energy: -805.020 Base-Backbone interact. energy: 0.201 local terms energy: -792.632015 where: bonds (distance) C4'-P energy: -138.554 bonds (distance) P-C4' energy: -162.591 flat angles C4'-P-C4' energy: -173.035 flat angles P-C4'-P energy: -109.054 tors. eta vs tors. theta energy: -209.399 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: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2470.872902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.872902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.872902 (E_RNA) where: Base-Base interactions energy: -1712.261 where: short stacking energy: -736.933 Base-Backbone interact. energy: 0.234 local terms energy: -758.846270 where: bonds (distance) C4'-P energy: -147.726 bonds (distance) P-C4' energy: -138.740 flat angles C4'-P-C4' energy: -173.209 flat angles P-C4'-P energy: -105.045 tors. eta vs tors. theta energy: -194.126 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: 4, replica: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2376.218962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.218962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.218962 (E_RNA) where: Base-Base interactions energy: -1636.408 where: short stacking energy: -713.675 Base-Backbone interact. energy: -1.836 local terms energy: -737.974749 where: bonds (distance) C4'-P energy: -144.191 bonds (distance) P-C4' energy: -154.961 flat angles C4'-P-C4' energy: -162.108 flat angles P-C4'-P energy: -110.750 tors. eta vs tors. theta energy: -165.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2270.369256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.369256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.369256 (E_RNA) where: Base-Base interactions energy: -1561.061 where: short stacking energy: -674.471 Base-Backbone interact. energy: -2.373 local terms energy: -706.935995 where: bonds (distance) C4'-P energy: -151.737 bonds (distance) P-C4' energy: -137.024 flat angles C4'-P-C4' energy: -146.553 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -157.510 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: 59 Temperature: 1.150000 Total energy: -2104.143197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.143197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.143197 (E_RNA) where: Base-Base interactions energy: -1414.793 where: short stacking energy: -655.520 Base-Backbone interact. energy: -2.886 local terms energy: -686.464069 where: bonds (distance) C4'-P energy: -136.094 bonds (distance) P-C4' energy: -161.048 flat angles C4'-P-C4' energy: -148.455 flat angles P-C4'-P energy: -82.548 tors. eta vs tors. theta energy: -158.319 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: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1938.121712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.121712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.121712 (E_RNA) where: Base-Base interactions energy: -1317.795 where: short stacking energy: -572.999 Base-Backbone interact. energy: 3.034 local terms energy: -623.360958 where: bonds (distance) C4'-P energy: -120.263 bonds (distance) P-C4' energy: -137.225 flat angles C4'-P-C4' energy: -144.015 flat angles P-C4'-P energy: -101.850 tors. eta vs tors. theta energy: -120.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1650.832823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.832823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.832823 (E_RNA) where: Base-Base interactions energy: -1104.878 where: short stacking energy: -505.315 Base-Backbone interact. energy: 11.532 local terms energy: -557.486091 where: bonds (distance) C4'-P energy: -116.767 bonds (distance) P-C4' energy: -129.932 flat angles C4'-P-C4' energy: -128.319 flat angles P-C4'-P energy: -88.414 tors. eta vs tors. theta energy: -94.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1406.288159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.288159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.288159 (E_RNA) where: Base-Base interactions energy: -882.865 where: short stacking energy: -438.950 Base-Backbone interact. energy: 0.237 local terms energy: -523.659592 where: bonds (distance) C4'-P energy: -138.112 bonds (distance) P-C4' energy: -155.729 flat angles C4'-P-C4' energy: -109.463 flat angles P-C4'-P energy: -64.001 tors. eta vs tors. theta energy: -56.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1451.107633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.107633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.107633 (E_RNA) where: Base-Base interactions energy: -938.723 where: short stacking energy: -426.303 Base-Backbone interact. energy: -0.762 local terms energy: -511.622903 where: bonds (distance) C4'-P energy: -142.556 bonds (distance) P-C4' energy: -116.579 flat angles C4'-P-C4' energy: -119.988 flat angles P-C4'-P energy: -67.888 tors. eta vs tors. theta energy: -64.612 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: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2871.176160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.176160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.176160 (E_RNA) where: Base-Base interactions energy: -2007.963 where: short stacking energy: -866.181 Base-Backbone interact. energy: -4.365 local terms energy: -858.848555 where: bonds (distance) C4'-P energy: -145.262 bonds (distance) P-C4' energy: -154.537 flat angles C4'-P-C4' energy: -186.125 flat angles P-C4'-P energy: -133.480 tors. eta vs tors. theta energy: -239.444 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: 60 Temperature: 0.950000 Total energy: -2627.507190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.507190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.507190 (E_RNA) where: Base-Base interactions energy: -1839.159 where: short stacking energy: -782.608 Base-Backbone interact. energy: -1.772 local terms energy: -786.576657 where: bonds (distance) C4'-P energy: -148.737 bonds (distance) P-C4' energy: -156.285 flat angles C4'-P-C4' energy: -164.691 flat angles P-C4'-P energy: -124.704 tors. eta vs tors. theta energy: -192.160 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: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2491.123813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.123813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.123813 (E_RNA) where: Base-Base interactions energy: -1733.809 where: short stacking energy: -762.136 Base-Backbone interact. energy: 5.538 local terms energy: -762.853527 where: bonds (distance) C4'-P energy: -145.038 bonds (distance) P-C4' energy: -166.246 flat angles C4'-P-C4' energy: -165.171 flat angles P-C4'-P energy: -112.224 tors. eta vs tors. theta energy: -174.175 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: 4, replica: 4 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2383.329336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.329336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.329336 (E_RNA) where: Base-Base interactions energy: -1637.325 where: short stacking energy: -732.069 Base-Backbone interact. energy: -3.276 local terms energy: -742.728424 where: bonds (distance) C4'-P energy: -132.954 bonds (distance) P-C4' energy: -141.325 flat angles C4'-P-C4' energy: -177.742 flat angles P-C4'-P energy: -114.567 tors. eta vs tors. theta energy: -176.140 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: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2219.149854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.149854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.149854 (E_RNA) where: Base-Base interactions energy: -1516.842 where: short stacking energy: -665.588 Base-Backbone interact. energy: -0.274 local terms energy: -702.034164 where: bonds (distance) C4'-P energy: -137.900 bonds (distance) P-C4' energy: -160.149 flat angles C4'-P-C4' energy: -170.793 flat angles P-C4'-P energy: -84.685 tors. eta vs tors. theta energy: -148.507 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: 60 Temperature: 1.150000 Total energy: -2097.780132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.780132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.780132 (E_RNA) where: Base-Base interactions energy: -1417.051 where: short stacking energy: -662.918 Base-Backbone interact. energy: 3.284 local terms energy: -684.013556 where: bonds (distance) C4'-P energy: -124.782 bonds (distance) P-C4' energy: -136.695 flat angles C4'-P-C4' energy: -162.063 flat angles P-C4'-P energy: -99.637 tors. eta vs tors. theta energy: -160.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1946.349260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.349260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.349260 (E_RNA) where: Base-Base interactions energy: -1326.402 where: short stacking energy: -544.460 Base-Backbone interact. energy: -2.108 local terms energy: -617.839698 where: bonds (distance) C4'-P energy: -116.043 bonds (distance) P-C4' energy: -152.663 flat angles C4'-P-C4' energy: -143.006 flat angles P-C4'-P energy: -90.734 tors. eta vs tors. theta energy: -115.394 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: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1834.462096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.462096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.462096 (E_RNA) where: Base-Base interactions energy: -1227.880 where: short stacking energy: -590.312 Base-Backbone interact. energy: 2.425 local terms energy: -609.006887 where: bonds (distance) C4'-P energy: -143.366 bonds (distance) P-C4' energy: -105.221 flat angles C4'-P-C4' energy: -147.362 flat angles P-C4'-P energy: -90.298 tors. eta vs tors. theta energy: -122.760 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: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1480.682187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.682187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.682187 (E_RNA) where: Base-Base interactions energy: -958.223 where: short stacking energy: -440.072 Base-Backbone interact. energy: -1.560 local terms energy: -520.899348 where: bonds (distance) C4'-P energy: -108.494 bonds (distance) P-C4' energy: -146.685 flat angles C4'-P-C4' energy: -128.334 flat angles P-C4'-P energy: -77.721 tors. eta vs tors. theta energy: -59.665 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: 3 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1417.729732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.729732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.729732 (E_RNA) where: Base-Base interactions energy: -919.264 where: short stacking energy: -402.790 Base-Backbone interact. energy: 3.797 local terms energy: -502.262621 where: bonds (distance) C4'-P energy: -116.210 bonds (distance) P-C4' energy: -121.823 flat angles C4'-P-C4' energy: -121.137 flat angles P-C4'-P energy: -89.973 tors. eta vs tors. theta energy: -53.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2835.985473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.985473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.985473 (E_RNA) where: Base-Base interactions energy: -1996.071 where: short stacking energy: -864.381 Base-Backbone interact. energy: 0.186 local terms energy: -840.100450 where: bonds (distance) C4'-P energy: -144.871 bonds (distance) P-C4' energy: -177.929 flat angles C4'-P-C4' energy: -182.136 flat angles P-C4'-P energy: -107.788 tors. eta vs tors. theta energy: -227.376 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: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2650.488503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.488503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.488503 (E_RNA) where: Base-Base interactions energy: -1834.029 where: short stacking energy: -819.943 Base-Backbone interact. energy: -5.565 local terms energy: -810.893743 where: bonds (distance) C4'-P energy: -156.740 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -186.684 flat angles P-C4'-P energy: -115.890 tors. eta vs tors. theta energy: -205.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2466.583892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.583892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.583892 (E_RNA) where: Base-Base interactions energy: -1717.797 where: short stacking energy: -757.606 Base-Backbone interact. energy: -4.850 local terms energy: -743.936752 where: bonds (distance) C4'-P energy: -142.371 bonds (distance) P-C4' energy: -164.874 flat angles C4'-P-C4' energy: -139.997 flat angles P-C4'-P energy: -105.897 tors. eta vs tors. theta energy: -190.797 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: 4, replica: 4 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2404.451508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.451508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.451508 (E_RNA) where: Base-Base interactions energy: -1672.599 where: short stacking energy: -716.332 Base-Backbone interact. energy: -4.549 local terms energy: -727.304171 where: bonds (distance) C4'-P energy: -135.887 bonds (distance) P-C4' energy: -153.936 flat angles C4'-P-C4' energy: -159.095 flat angles P-C4'-P energy: -104.926 tors. eta vs tors. theta energy: -173.460 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: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2203.858684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.858684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.858684 (E_RNA) where: Base-Base interactions energy: -1519.799 where: short stacking energy: -632.874 Base-Backbone interact. energy: -2.907 local terms energy: -681.152331 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -149.584 flat angles C4'-P-C4' energy: -155.911 flat angles P-C4'-P energy: -106.860 tors. eta vs tors. theta energy: -143.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2048.737097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.737097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.737097 (E_RNA) where: Base-Base interactions energy: -1383.968 where: short stacking energy: -609.254 Base-Backbone interact. energy: -0.397 local terms energy: -664.371843 where: bonds (distance) C4'-P energy: -143.012 bonds (distance) P-C4' energy: -127.542 flat angles C4'-P-C4' energy: -150.665 flat angles P-C4'-P energy: -96.649 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: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1950.957825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.957825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.957825 (E_RNA) where: Base-Base interactions energy: -1311.037 where: short stacking energy: -593.448 Base-Backbone interact. energy: -2.472 local terms energy: -637.448431 where: bonds (distance) C4'-P energy: -138.540 bonds (distance) P-C4' energy: -138.764 flat angles C4'-P-C4' energy: -154.221 flat angles P-C4'-P energy: -98.132 tors. eta vs tors. theta energy: -107.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1875.999281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.999281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.999281 (E_RNA) where: Base-Base interactions energy: -1277.108 where: short stacking energy: -578.058 Base-Backbone interact. energy: -0.361 local terms energy: -598.530305 where: bonds (distance) C4'-P energy: -117.575 bonds (distance) P-C4' energy: -119.310 flat angles C4'-P-C4' energy: -151.865 flat angles P-C4'-P energy: -88.663 tors. eta vs tors. theta energy: -121.116 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: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1387.819519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.819519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.819519 (E_RNA) where: Base-Base interactions energy: -886.736 where: short stacking energy: -419.936 Base-Backbone interact. energy: 0.774 local terms energy: -501.857883 where: bonds (distance) C4'-P energy: -105.324 bonds (distance) P-C4' energy: -125.659 flat angles C4'-P-C4' energy: -146.052 flat angles P-C4'-P energy: -76.120 tors. eta vs tors. theta energy: -48.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1429.013575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.013575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.013575 (E_RNA) where: Base-Base interactions energy: -944.873 where: short stacking energy: -413.816 Base-Backbone interact. energy: -3.407 local terms energy: -480.733462 where: bonds (distance) C4'-P energy: -123.965 bonds (distance) P-C4' energy: -124.763 flat angles C4'-P-C4' energy: -119.684 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -53.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2854.214923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.214923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.214923 (E_RNA) where: Base-Base interactions energy: -1997.462 where: short stacking energy: -853.886 Base-Backbone interact. energy: -4.898 local terms energy: -851.854871 where: bonds (distance) C4'-P energy: -152.552 bonds (distance) P-C4' energy: -159.959 flat angles C4'-P-C4' energy: -178.103 flat angles P-C4'-P energy: -131.729 tors. eta vs tors. theta energy: -229.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2684.086428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.086428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.086428 (E_RNA) where: Base-Base interactions energy: -1859.393 where: short stacking energy: -817.313 Base-Backbone interact. energy: -1.642 local terms energy: -823.051776 where: bonds (distance) C4'-P energy: -151.458 bonds (distance) P-C4' energy: -143.334 flat angles C4'-P-C4' energy: -183.080 flat angles P-C4'-P energy: -124.446 tors. eta vs tors. theta energy: -220.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2513.591453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.591453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.591453 (E_RNA) where: Base-Base interactions energy: -1720.842 where: short stacking energy: -775.240 Base-Backbone interact. energy: -3.951 local terms energy: -788.798321 where: bonds (distance) C4'-P energy: -148.205 bonds (distance) P-C4' energy: -142.950 flat angles C4'-P-C4' energy: -165.945 flat angles P-C4'-P energy: -129.124 tors. eta vs tors. theta energy: -202.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2417.042070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.042070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.042070 (E_RNA) where: Base-Base interactions energy: -1682.579 where: short stacking energy: -700.665 Base-Backbone interact. energy: 0.880 local terms energy: -735.343765 where: bonds (distance) C4'-P energy: -145.346 bonds (distance) P-C4' energy: -156.766 flat angles C4'-P-C4' energy: -173.121 flat angles P-C4'-P energy: -97.561 tors. eta vs tors. theta energy: -162.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2352.214243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.214243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.214243 (E_RNA) where: Base-Base interactions energy: -1638.281 where: short stacking energy: -697.773 Base-Backbone interact. energy: -3.538 local terms energy: -710.395402 where: bonds (distance) C4'-P energy: -123.671 bonds (distance) P-C4' energy: -149.748 flat angles C4'-P-C4' energy: -163.622 flat angles P-C4'-P energy: -101.158 tors. eta vs tors. theta energy: -172.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2126.344599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.344599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.344599 (E_RNA) where: Base-Base interactions energy: -1412.473 where: short stacking energy: -646.497 Base-Backbone interact. energy: -0.707 local terms energy: -713.164909 where: bonds (distance) C4'-P energy: -146.461 bonds (distance) P-C4' energy: -144.337 flat angles C4'-P-C4' energy: -168.129 flat angles P-C4'-P energy: -100.374 tors. eta vs tors. theta energy: -153.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1953.275944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.275944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.275944 (E_RNA) where: Base-Base interactions energy: -1361.200 where: short stacking energy: -552.433 Base-Backbone interact. energy: -0.131 local terms energy: -591.945301 where: bonds (distance) C4'-P energy: -129.668 bonds (distance) P-C4' energy: -130.807 flat angles C4'-P-C4' energy: -140.997 flat angles P-C4'-P energy: -72.500 tors. eta vs tors. theta energy: -117.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1980.549212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.549212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.549212 (E_RNA) where: Base-Base interactions energy: -1329.092 where: short stacking energy: -623.708 Base-Backbone interact. energy: -1.481 local terms energy: -649.975983 where: bonds (distance) C4'-P energy: -123.632 bonds (distance) P-C4' energy: -146.490 flat angles C4'-P-C4' energy: -136.925 flat angles P-C4'-P energy: -98.786 tors. eta vs tors. theta energy: -144.143 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: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1428.374147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.374147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.374147 (E_RNA) where: Base-Base interactions energy: -897.508 where: short stacking energy: -448.753 Base-Backbone interact. energy: -0.172 local terms energy: -530.693794 where: bonds (distance) C4'-P energy: -117.636 bonds (distance) P-C4' energy: -114.821 flat angles C4'-P-C4' energy: -132.700 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -105.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1466.943147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.943147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.943147 (E_RNA) where: Base-Base interactions energy: -963.660 where: short stacking energy: -434.034 Base-Backbone interact. energy: -0.756 local terms energy: -502.526585 where: bonds (distance) C4'-P energy: -111.984 bonds (distance) P-C4' energy: -125.434 flat angles C4'-P-C4' energy: -129.167 flat angles P-C4'-P energy: -81.096 tors. eta vs tors. theta energy: -54.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2876.149399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.149399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.149399 (E_RNA) where: Base-Base interactions energy: -2025.440 where: short stacking energy: -877.820 Base-Backbone interact. energy: -4.532 local terms energy: -846.178131 where: bonds (distance) C4'-P energy: -153.881 bonds (distance) P-C4' energy: -166.820 flat angles C4'-P-C4' energy: -183.080 flat angles P-C4'-P energy: -115.877 tors. eta vs tors. theta energy: -226.520 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: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2609.977858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.977858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.977858 (E_RNA) where: Base-Base interactions energy: -1804.958 where: short stacking energy: -834.748 Base-Backbone interact. energy: -1.558 local terms energy: -803.461576 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -149.204 flat angles C4'-P-C4' energy: -177.917 flat angles P-C4'-P energy: -113.120 tors. eta vs tors. theta energy: -213.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2579.702547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.702547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.702547 (E_RNA) where: Base-Base interactions energy: -1791.281 where: short stacking energy: -781.432 Base-Backbone interact. energy: -3.371 local terms energy: -785.050713 where: bonds (distance) C4'-P energy: -147.977 bonds (distance) P-C4' energy: -156.648 flat angles C4'-P-C4' energy: -162.724 flat angles P-C4'-P energy: -108.722 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: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2416.496836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.496836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.496836 (E_RNA) where: Base-Base interactions energy: -1673.035 where: short stacking energy: -776.100 Base-Backbone interact. energy: -3.778 local terms energy: -739.684384 where: bonds (distance) C4'-P energy: -139.820 bonds (distance) P-C4' energy: -134.664 flat angles C4'-P-C4' energy: -165.817 flat angles P-C4'-P energy: -103.626 tors. eta vs tors. theta energy: -195.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2335.633622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.633622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.633622 (E_RNA) where: Base-Base interactions energy: -1610.264 where: short stacking energy: -677.272 Base-Backbone interact. energy: 0.491 local terms energy: -725.861438 where: bonds (distance) C4'-P energy: -165.056 bonds (distance) P-C4' energy: -144.267 flat angles C4'-P-C4' energy: -149.541 flat angles P-C4'-P energy: -93.061 tors. eta vs tors. theta energy: -173.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2125.612574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.612574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.612574 (E_RNA) where: Base-Base interactions energy: -1425.301 where: short stacking energy: -681.171 Base-Backbone interact. energy: -3.618 local terms energy: -696.693321 where: bonds (distance) C4'-P energy: -139.846 bonds (distance) P-C4' energy: -139.920 flat angles C4'-P-C4' energy: -161.354 flat angles P-C4'-P energy: -91.845 tors. eta vs tors. theta energy: -163.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -2001.088728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.088728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.088728 (E_RNA) where: Base-Base interactions energy: -1385.901 where: short stacking energy: -597.005 Base-Backbone interact. energy: 2.387 local terms energy: -617.574579 where: bonds (distance) C4'-P energy: -117.571 bonds (distance) P-C4' energy: -139.820 flat angles C4'-P-C4' energy: -149.947 flat angles P-C4'-P energy: -72.558 tors. eta vs tors. theta energy: -137.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1994.438634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.438634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.438634 (E_RNA) where: Base-Base interactions energy: -1332.269 where: short stacking energy: -605.789 Base-Backbone interact. energy: 0.095 local terms energy: -662.264137 where: bonds (distance) C4'-P energy: -139.321 bonds (distance) P-C4' energy: -148.658 flat angles C4'-P-C4' energy: -135.650 flat angles P-C4'-P energy: -105.694 tors. eta vs tors. theta energy: -132.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1393.459521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.459521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.459521 (E_RNA) where: Base-Base interactions energy: -886.169 where: short stacking energy: -427.965 Base-Backbone interact. energy: -0.108 local terms energy: -507.183211 where: bonds (distance) C4'-P energy: -135.173 bonds (distance) P-C4' energy: -126.560 flat angles C4'-P-C4' energy: -124.270 flat angles P-C4'-P energy: -58.272 tors. eta vs tors. theta energy: -62.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1512.245651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.245651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.245651 (E_RNA) where: Base-Base interactions energy: -956.970 where: short stacking energy: -420.121 Base-Backbone interact. energy: 7.642 local terms energy: -562.917937 where: bonds (distance) C4'-P energy: -129.871 bonds (distance) P-C4' energy: -133.487 flat angles C4'-P-C4' energy: -136.134 flat angles P-C4'-P energy: -91.487 tors. eta vs tors. theta energy: -71.939 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: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2888.530279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.530279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.530279 (E_RNA) where: Base-Base interactions energy: -2044.195 where: short stacking energy: -857.432 Base-Backbone interact. energy: -5.551 local terms energy: -838.784672 where: bonds (distance) C4'-P energy: -147.145 bonds (distance) P-C4' energy: -166.888 flat angles C4'-P-C4' energy: -181.030 flat angles P-C4'-P energy: -118.417 tors. eta vs tors. theta energy: -225.305 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: 64 Temperature: 0.950000 Total energy: -2637.151768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.151768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.151768 (E_RNA) where: Base-Base interactions energy: -1826.179 where: short stacking energy: -828.959 Base-Backbone interact. energy: -3.468 local terms energy: -807.505104 where: bonds (distance) C4'-P energy: -145.195 bonds (distance) P-C4' energy: -153.805 flat angles C4'-P-C4' energy: -165.969 flat angles P-C4'-P energy: -121.782 tors. eta vs tors. theta energy: -220.754 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: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2581.908563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.908563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.908563 (E_RNA) where: Base-Base interactions energy: -1785.785 where: short stacking energy: -768.727 Base-Backbone interact. energy: -4.237 local terms energy: -791.887375 where: bonds (distance) C4'-P energy: -143.257 bonds (distance) P-C4' energy: -154.215 flat angles C4'-P-C4' energy: -172.611 flat angles P-C4'-P energy: -115.726 tors. eta vs tors. theta energy: -206.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2424.644186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.644186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.644186 (E_RNA) where: Base-Base interactions energy: -1696.626 where: short stacking energy: -737.377 Base-Backbone interact. energy: 3.704 local terms energy: -731.722066 where: bonds (distance) C4'-P energy: -121.871 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -172.601 flat angles P-C4'-P energy: -104.245 tors. eta vs tors. theta energy: -180.460 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: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2365.048186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.048186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.048186 (E_RNA) where: Base-Base interactions energy: -1646.368 where: short stacking energy: -719.652 Base-Backbone interact. energy: -2.112 local terms energy: -716.567698 where: bonds (distance) C4'-P energy: -133.151 bonds (distance) P-C4' energy: -144.810 flat angles C4'-P-C4' energy: -171.088 flat angles P-C4'-P energy: -84.476 tors. eta vs tors. theta energy: -183.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2073.275447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.275447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.275447 (E_RNA) where: Base-Base interactions energy: -1396.924 where: short stacking energy: -639.695 Base-Backbone interact. energy: 0.435 local terms energy: -676.786369 where: bonds (distance) C4'-P energy: -124.848 bonds (distance) P-C4' energy: -147.327 flat angles C4'-P-C4' energy: -157.306 flat angles P-C4'-P energy: -94.898 tors. eta vs tors. theta energy: -152.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -2114.891407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.891407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.891407 (E_RNA) where: Base-Base interactions energy: -1444.918 where: short stacking energy: -657.612 Base-Backbone interact. energy: 2.658 local terms energy: -672.632148 where: bonds (distance) C4'-P energy: -127.791 bonds (distance) P-C4' energy: -137.384 flat angles C4'-P-C4' energy: -143.234 flat angles P-C4'-P energy: -97.900 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: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1889.333300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.333300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.333300 (E_RNA) where: Base-Base interactions energy: -1300.751 where: short stacking energy: -544.060 Base-Backbone interact. energy: -3.726 local terms energy: -584.855893 where: bonds (distance) C4'-P energy: -124.174 bonds (distance) P-C4' energy: -121.613 flat angles C4'-P-C4' energy: -115.237 flat angles P-C4'-P energy: -98.517 tors. eta vs tors. theta energy: -125.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1504.287488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.287488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.287488 (E_RNA) where: Base-Base interactions energy: -980.913 where: short stacking energy: -471.211 Base-Backbone interact. energy: 5.517 local terms energy: -528.891418 where: bonds (distance) C4'-P energy: -119.792 bonds (distance) P-C4' energy: -112.408 flat angles C4'-P-C4' energy: -149.958 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: -82.156 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: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1243.088130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.088130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.088130 (E_RNA) where: Base-Base interactions energy: -765.002 where: short stacking energy: -371.452 Base-Backbone interact. energy: 4.290 local terms energy: -482.375987 where: bonds (distance) C4'-P energy: -143.484 bonds (distance) P-C4' energy: -125.584 flat angles C4'-P-C4' energy: -113.631 flat angles P-C4'-P energy: -57.656 tors. eta vs tors. theta energy: -42.021 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: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2864.116900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.116900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.116900 (E_RNA) where: Base-Base interactions energy: -2024.102 where: short stacking energy: -854.934 Base-Backbone interact. energy: -3.999 local terms energy: -836.016270 where: bonds (distance) C4'-P energy: -151.743 bonds (distance) P-C4' energy: -145.364 flat angles C4'-P-C4' energy: -183.611 flat angles P-C4'-P energy: -127.964 tors. eta vs tors. theta energy: -227.334 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: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2686.335124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.335124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.335124 (E_RNA) where: Base-Base interactions energy: -1865.354 where: short stacking energy: -855.519 Base-Backbone interact. energy: -5.372 local terms energy: -815.608779 where: bonds (distance) C4'-P energy: -150.037 bonds (distance) P-C4' energy: -153.403 flat angles C4'-P-C4' energy: -169.183 flat angles P-C4'-P energy: -119.134 tors. eta vs tors. theta energy: -223.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2573.998961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.998961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.998961 (E_RNA) where: Base-Base interactions energy: -1796.442 where: short stacking energy: -797.321 Base-Backbone interact. energy: -5.789 local terms energy: -771.767540 where: bonds (distance) C4'-P energy: -148.225 bonds (distance) P-C4' energy: -143.912 flat angles C4'-P-C4' energy: -160.967 flat angles P-C4'-P energy: -115.364 tors. eta vs tors. theta energy: -203.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2408.663136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.663136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.663136 (E_RNA) where: Base-Base interactions energy: -1701.821 where: short stacking energy: -712.749 Base-Backbone interact. energy: 1.887 local terms energy: -708.728552 where: bonds (distance) C4'-P energy: -143.150 bonds (distance) P-C4' energy: -155.893 flat angles C4'-P-C4' energy: -151.508 flat angles P-C4'-P energy: -92.841 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: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2397.062294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.062294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.062294 (E_RNA) where: Base-Base interactions energy: -1652.273 where: short stacking energy: -666.865 Base-Backbone interact. energy: -5.942 local terms energy: -738.847235 where: bonds (distance) C4'-P energy: -143.479 bonds (distance) P-C4' energy: -156.320 flat angles C4'-P-C4' energy: -161.122 flat angles P-C4'-P energy: -108.474 tors. eta vs tors. theta energy: -169.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2203.756659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.756659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.756659 (E_RNA) where: Base-Base interactions energy: -1488.394 where: short stacking energy: -704.384 Base-Backbone interact. energy: 0.218 local terms energy: -715.581426 where: bonds (distance) C4'-P energy: -143.787 bonds (distance) P-C4' energy: -146.431 flat angles C4'-P-C4' energy: -172.149 flat angles P-C4'-P energy: -93.245 tors. eta vs tors. theta energy: -159.970 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: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1982.937081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.937081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.937081 (E_RNA) where: Base-Base interactions energy: -1343.319 where: short stacking energy: -599.553 Base-Backbone interact. energy: -4.046 local terms energy: -635.572257 where: bonds (distance) C4'-P energy: -129.215 bonds (distance) P-C4' energy: -150.443 flat angles C4'-P-C4' energy: -146.488 flat angles P-C4'-P energy: -80.730 tors. eta vs tors. theta energy: -128.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1789.300539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.300539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.300539 (E_RNA) where: Base-Base interactions energy: -1237.092 where: short stacking energy: -501.966 Base-Backbone interact. energy: 2.188 local terms energy: -554.396252 where: bonds (distance) C4'-P energy: -122.379 bonds (distance) P-C4' energy: -134.205 flat angles C4'-P-C4' energy: -131.959 flat angles P-C4'-P energy: -70.647 tors. eta vs tors. theta energy: -95.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1485.307305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.307305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.307305 (E_RNA) where: Base-Base interactions energy: -975.782 where: short stacking energy: -459.083 Base-Backbone interact. energy: 2.689 local terms energy: -512.215097 where: bonds (distance) C4'-P energy: -113.943 bonds (distance) P-C4' energy: -127.031 flat angles C4'-P-C4' energy: -127.736 flat angles P-C4'-P energy: -64.075 tors. eta vs tors. theta energy: -79.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1361.345184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.345184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.345184 (E_RNA) where: Base-Base interactions energy: -840.421 where: short stacking energy: -368.359 Base-Backbone interact. energy: 4.400 local terms energy: -525.324418 where: bonds (distance) C4'-P energy: -143.847 bonds (distance) P-C4' energy: -136.002 flat angles C4'-P-C4' energy: -115.881 flat angles P-C4'-P energy: -87.631 tors. eta vs tors. theta energy: -41.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2835.165885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.165885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.165885 (E_RNA) where: Base-Base interactions energy: -1970.215 where: short stacking energy: -851.130 Base-Backbone interact. energy: -6.729 local terms energy: -858.222490 where: bonds (distance) C4'-P energy: -147.766 bonds (distance) P-C4' energy: -168.871 flat angles C4'-P-C4' energy: -179.659 flat angles P-C4'-P energy: -135.031 tors. eta vs tors. theta energy: -226.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2643.885815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.885815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.885815 (E_RNA) where: Base-Base interactions energy: -1831.792 where: short stacking energy: -817.188 Base-Backbone interact. energy: -3.396 local terms energy: -808.697807 where: bonds (distance) C4'-P energy: -147.188 bonds (distance) P-C4' energy: -158.190 flat angles C4'-P-C4' energy: -166.166 flat angles P-C4'-P energy: -117.167 tors. eta vs tors. theta energy: -219.987 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: 66 Temperature: 1.000000 Total energy: -2572.121609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.121609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.121609 (E_RNA) where: Base-Base interactions energy: -1798.897 where: short stacking energy: -790.591 Base-Backbone interact. energy: -4.301 local terms energy: -768.923891 where: bonds (distance) C4'-P energy: -140.746 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -165.924 flat angles P-C4'-P energy: -108.262 tors. eta vs tors. theta energy: -196.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2392.299132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.299132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.299132 (E_RNA) where: Base-Base interactions energy: -1650.490 where: short stacking energy: -715.947 Base-Backbone interact. energy: -4.224 local terms energy: -737.584910 where: bonds (distance) C4'-P energy: -143.384 bonds (distance) P-C4' energy: -158.238 flat angles C4'-P-C4' energy: -142.886 flat angles P-C4'-P energy: -108.343 tors. eta vs tors. theta energy: -184.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2425.902016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.902016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.902016 (E_RNA) where: Base-Base interactions energy: -1710.114 where: short stacking energy: -743.214 Base-Backbone interact. energy: -3.335 local terms energy: -712.452689 where: bonds (distance) C4'-P energy: -143.029 bonds (distance) P-C4' energy: -135.238 flat angles C4'-P-C4' energy: -151.637 flat angles P-C4'-P energy: -81.297 tors. eta vs tors. theta energy: -201.252 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: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2260.876515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.876515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.876515 (E_RNA) where: Base-Base interactions energy: -1553.701 where: short stacking energy: -687.820 Base-Backbone interact. energy: -3.679 local terms energy: -703.496286 where: bonds (distance) C4'-P energy: -135.569 bonds (distance) P-C4' energy: -123.528 flat angles C4'-P-C4' energy: -174.668 flat angles P-C4'-P energy: -104.675 tors. eta vs tors. theta energy: -165.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1929.402546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.402546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.402546 (E_RNA) where: Base-Base interactions energy: -1308.855 where: short stacking energy: -579.590 Base-Backbone interact. energy: -2.611 local terms energy: -617.936792 where: bonds (distance) C4'-P energy: -132.514 bonds (distance) P-C4' energy: -135.518 flat angles C4'-P-C4' energy: -139.378 flat angles P-C4'-P energy: -79.361 tors. eta vs tors. theta energy: -131.166 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: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1736.770771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.770771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.770771 (E_RNA) where: Base-Base interactions energy: -1213.887 where: short stacking energy: -547.715 Base-Backbone interact. energy: -2.343 local terms energy: -520.540831 where: bonds (distance) C4'-P energy: -115.799 bonds (distance) P-C4' energy: -117.737 flat angles C4'-P-C4' energy: -132.980 flat angles P-C4'-P energy: -55.217 tors. eta vs tors. theta energy: -98.808 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: 3 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1578.657965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.657965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.657965 (E_RNA) where: Base-Base interactions energy: -1016.054 where: short stacking energy: -480.293 Base-Backbone interact. energy: 0.425 local terms energy: -563.028897 where: bonds (distance) C4'-P energy: -129.913 bonds (distance) P-C4' energy: -113.763 flat angles C4'-P-C4' energy: -141.710 flat angles P-C4'-P energy: -84.984 tors. eta vs tors. theta energy: -92.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1317.387589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.387589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.387589 (E_RNA) where: Base-Base interactions energy: -841.126 where: short stacking energy: -361.992 Base-Backbone interact. energy: -1.167 local terms energy: -475.094611 where: bonds (distance) C4'-P energy: -130.007 bonds (distance) P-C4' energy: -131.303 flat angles C4'-P-C4' energy: -127.104 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -30.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2876.340082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.340082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.340082 (E_RNA) where: Base-Base interactions energy: -2006.338 where: short stacking energy: -870.064 Base-Backbone interact. energy: -2.965 local terms energy: -867.036609 where: bonds (distance) C4'-P energy: -161.137 bonds (distance) P-C4' energy: -162.833 flat angles C4'-P-C4' energy: -183.854 flat angles P-C4'-P energy: -126.091 tors. eta vs tors. theta energy: -233.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2680.982510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.982510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.982510 (E_RNA) where: Base-Base interactions energy: -1856.763 where: short stacking energy: -815.062 Base-Backbone interact. energy: 0.692 local terms energy: -824.911313 where: bonds (distance) C4'-P energy: -151.372 bonds (distance) P-C4' energy: -160.254 flat angles C4'-P-C4' energy: -170.712 flat angles P-C4'-P energy: -120.778 tors. eta vs tors. theta energy: -221.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2599.024750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.024750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.024750 (E_RNA) where: Base-Base interactions energy: -1814.488 where: short stacking energy: -778.054 Base-Backbone interact. energy: -2.598 local terms energy: -781.938798 where: bonds (distance) C4'-P energy: -134.020 bonds (distance) P-C4' energy: -146.037 flat angles C4'-P-C4' energy: -183.124 flat angles P-C4'-P energy: -122.281 tors. eta vs tors. theta energy: -196.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2486.343378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.343378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.343378 (E_RNA) where: Base-Base interactions energy: -1690.262 where: short stacking energy: -755.721 Base-Backbone interact. energy: -4.110 local terms energy: -791.971362 where: bonds (distance) C4'-P energy: -149.395 bonds (distance) P-C4' energy: -170.464 flat angles C4'-P-C4' energy: -180.731 flat angles P-C4'-P energy: -103.523 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: 5, replica: 10 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2359.802324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.802324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.802324 (E_RNA) where: Base-Base interactions energy: -1642.578 where: short stacking energy: -720.246 Base-Backbone interact. energy: -4.292 local terms energy: -712.931911 where: bonds (distance) C4'-P energy: -133.285 bonds (distance) P-C4' energy: -134.724 flat angles C4'-P-C4' energy: -159.998 flat angles P-C4'-P energy: -100.259 tors. eta vs tors. theta energy: -184.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2257.120263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.120263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.120263 (E_RNA) where: Base-Base interactions energy: -1504.481 where: short stacking energy: -675.264 Base-Backbone interact. energy: -2.434 local terms energy: -750.205300 where: bonds (distance) C4'-P energy: -151.577 bonds (distance) P-C4' energy: -151.000 flat angles C4'-P-C4' energy: -175.943 flat angles P-C4'-P energy: -108.809 tors. eta vs tors. theta energy: -162.876 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: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1990.723057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.723057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.723057 (E_RNA) where: Base-Base interactions energy: -1341.934 where: short stacking energy: -578.447 Base-Backbone interact. energy: 1.406 local terms energy: -650.195378 where: bonds (distance) C4'-P energy: -137.236 bonds (distance) P-C4' energy: -112.312 flat angles C4'-P-C4' energy: -163.645 flat angles P-C4'-P energy: -106.355 tors. eta vs tors. theta energy: -130.648 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: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1831.827862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.827862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.827862 (E_RNA) where: Base-Base interactions energy: -1239.042 where: short stacking energy: -556.871 Base-Backbone interact. energy: 1.457 local terms energy: -594.242881 where: bonds (distance) C4'-P energy: -122.267 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -146.322 flat angles P-C4'-P energy: -64.673 tors. eta vs tors. theta energy: -119.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1521.953848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.953848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.953848 (E_RNA) where: Base-Base interactions energy: -1001.050 where: short stacking energy: -494.033 Base-Backbone interact. energy: -3.458 local terms energy: -517.445564 where: bonds (distance) C4'-P energy: -118.928 bonds (distance) P-C4' energy: -126.793 flat angles C4'-P-C4' energy: -116.554 flat angles P-C4'-P energy: -71.967 tors. eta vs tors. theta energy: -83.205 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: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1336.175497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.175497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.175497 (E_RNA) where: Base-Base interactions energy: -842.861 where: short stacking energy: -410.634 Base-Backbone interact. energy: 2.641 local terms energy: -495.955185 where: bonds (distance) C4'-P energy: -130.875 bonds (distance) P-C4' energy: -125.631 flat angles C4'-P-C4' energy: -113.365 flat angles P-C4'-P energy: -68.882 tors. eta vs tors. theta energy: -57.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2895.035880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.035880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.035880 (E_RNA) where: Base-Base interactions energy: -2031.963 where: short stacking energy: -882.960 Base-Backbone interact. energy: -5.594 local terms energy: -857.479191 where: bonds (distance) C4'-P energy: -157.615 bonds (distance) P-C4' energy: -154.460 flat angles C4'-P-C4' energy: -178.460 flat angles P-C4'-P energy: -130.848 tors. eta vs tors. theta energy: -236.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2655.142696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.142696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.142696 (E_RNA) where: Base-Base interactions energy: -1840.788 where: short stacking energy: -854.571 Base-Backbone interact. energy: -0.832 local terms energy: -813.522642 where: bonds (distance) C4'-P energy: -149.192 bonds (distance) P-C4' energy: -149.716 flat angles C4'-P-C4' energy: -170.072 flat angles P-C4'-P energy: -120.814 tors. eta vs tors. theta energy: -223.729 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: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2601.525668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.525668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.525668 (E_RNA) where: Base-Base interactions energy: -1800.245 where: short stacking energy: -775.921 Base-Backbone interact. energy: 0.818 local terms energy: -802.098153 where: bonds (distance) C4'-P energy: -156.234 bonds (distance) P-C4' energy: -167.490 flat angles C4'-P-C4' energy: -167.289 flat angles P-C4'-P energy: -112.231 tors. eta vs tors. theta energy: -198.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2445.532714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.532714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.532714 (E_RNA) where: Base-Base interactions energy: -1707.927 where: short stacking energy: -759.163 Base-Backbone interact. energy: -5.557 local terms energy: -732.049044 where: bonds (distance) C4'-P energy: -142.452 bonds (distance) P-C4' energy: -136.512 flat angles C4'-P-C4' energy: -171.975 flat angles P-C4'-P energy: -105.304 tors. eta vs tors. theta energy: -175.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2413.171952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.171952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.171952 (E_RNA) where: Base-Base interactions energy: -1670.639 where: short stacking energy: -726.237 Base-Backbone interact. energy: 0.779 local terms energy: -743.311971 where: bonds (distance) C4'-P energy: -156.456 bonds (distance) P-C4' energy: -139.653 flat angles C4'-P-C4' energy: -152.508 flat angles P-C4'-P energy: -111.370 tors. eta vs tors. theta energy: -183.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2211.788864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.788864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.788864 (E_RNA) where: Base-Base interactions energy: -1515.606 where: short stacking energy: -679.230 Base-Backbone interact. energy: -0.647 local terms energy: -695.536002 where: bonds (distance) C4'-P energy: -130.092 bonds (distance) P-C4' energy: -152.519 flat angles C4'-P-C4' energy: -159.798 flat angles P-C4'-P energy: -97.580 tors. eta vs tors. theta energy: -155.547 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: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1880.079401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.079401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.079401 (E_RNA) where: Base-Base interactions energy: -1260.561 where: short stacking energy: -524.828 Base-Backbone interact. energy: -5.708 local terms energy: -613.810243 where: bonds (distance) C4'-P energy: -131.725 bonds (distance) P-C4' energy: -126.126 flat angles C4'-P-C4' energy: -140.176 flat angles P-C4'-P energy: -81.566 tors. eta vs tors. theta energy: -134.217 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: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1819.323452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.323452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.323452 (E_RNA) where: Base-Base interactions energy: -1220.582 where: short stacking energy: -544.165 Base-Backbone interact. energy: 1.826 local terms energy: -600.567249 where: bonds (distance) C4'-P energy: -126.164 bonds (distance) P-C4' energy: -146.657 flat angles C4'-P-C4' energy: -128.877 flat angles P-C4'-P energy: -92.537 tors. eta vs tors. theta energy: -106.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1580.499219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.499219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.499219 (E_RNA) where: Base-Base interactions energy: -1004.004 where: short stacking energy: -497.800 Base-Backbone interact. energy: -2.441 local terms energy: -574.054157 where: bonds (distance) C4'-P energy: -116.222 bonds (distance) P-C4' energy: -128.952 flat angles C4'-P-C4' energy: -143.513 flat angles P-C4'-P energy: -89.202 tors. eta vs tors. theta energy: -96.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1428.612874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.612874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.612874 (E_RNA) where: Base-Base interactions energy: -961.276 where: short stacking energy: -445.501 Base-Backbone interact. energy: 0.325 local terms energy: -467.661458 where: bonds (distance) C4'-P energy: -113.974 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -123.227 flat angles P-C4'-P energy: -48.396 tors. eta vs tors. theta energy: -63.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2876.806099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.806099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.806099 (E_RNA) where: Base-Base interactions energy: -2013.963 where: short stacking energy: -885.751 Base-Backbone interact. energy: -4.107 local terms energy: -858.736891 where: bonds (distance) C4'-P energy: -158.227 bonds (distance) P-C4' energy: -159.905 flat angles C4'-P-C4' energy: -190.076 flat angles P-C4'-P energy: -115.700 tors. eta vs tors. theta energy: -234.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2712.596100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.596100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.596100 (E_RNA) where: Base-Base interactions energy: -1892.418 where: short stacking energy: -849.027 Base-Backbone interact. energy: -5.207 local terms energy: -814.971294 where: bonds (distance) C4'-P energy: -158.401 bonds (distance) P-C4' energy: -150.963 flat angles C4'-P-C4' energy: -164.330 flat angles P-C4'-P energy: -102.173 tors. eta vs tors. theta energy: -239.104 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: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2603.204049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.204049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.204049 (E_RNA) where: Base-Base interactions energy: -1810.453 where: short stacking energy: -783.270 Base-Backbone interact. energy: -4.201 local terms energy: -788.549938 where: bonds (distance) C4'-P energy: -148.868 bonds (distance) P-C4' energy: -152.286 flat angles C4'-P-C4' energy: -171.747 flat angles P-C4'-P energy: -120.033 tors. eta vs tors. theta energy: -195.616 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: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2437.297733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.297733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.297733 (E_RNA) where: Base-Base interactions energy: -1673.909 where: short stacking energy: -763.278 Base-Backbone interact. energy: 2.940 local terms energy: -766.329156 where: bonds (distance) C4'-P energy: -152.035 bonds (distance) P-C4' energy: -149.546 flat angles C4'-P-C4' energy: -163.415 flat angles P-C4'-P energy: -112.054 tors. eta vs tors. theta energy: -189.279 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: 5, replica: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2410.231873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.231873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.231873 (E_RNA) where: Base-Base interactions energy: -1697.341 where: short stacking energy: -728.386 Base-Backbone interact. energy: -2.628 local terms energy: -710.263180 where: bonds (distance) C4'-P energy: -115.561 bonds (distance) P-C4' energy: -143.609 flat angles C4'-P-C4' energy: -154.695 flat angles P-C4'-P energy: -110.743 tors. eta vs tors. theta energy: -185.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2258.643935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.643935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.643935 (E_RNA) where: Base-Base interactions energy: -1561.041 where: short stacking energy: -713.006 Base-Backbone interact. energy: 1.923 local terms energy: -699.525745 where: bonds (distance) C4'-P energy: -135.299 bonds (distance) P-C4' energy: -128.553 flat angles C4'-P-C4' energy: -162.289 flat angles P-C4'-P energy: -100.857 tors. eta vs tors. theta energy: -172.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1938.244641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.244641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.244641 (E_RNA) where: Base-Base interactions energy: -1312.384 where: short stacking energy: -602.149 Base-Backbone interact. energy: -1.308 local terms energy: -624.552295 where: bonds (distance) C4'-P energy: -123.645 bonds (distance) P-C4' energy: -145.632 flat angles C4'-P-C4' energy: -131.151 flat angles P-C4'-P energy: -91.728 tors. eta vs tors. theta energy: -132.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1850.386634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.386634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.386634 (E_RNA) where: Base-Base interactions energy: -1264.614 where: short stacking energy: -537.400 Base-Backbone interact. energy: -0.299 local terms energy: -585.473846 where: bonds (distance) C4'-P energy: -112.596 bonds (distance) P-C4' energy: -135.243 flat angles C4'-P-C4' energy: -149.366 flat angles P-C4'-P energy: -75.899 tors. eta vs tors. theta energy: -112.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1546.791302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.791302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.791302 (E_RNA) where: Base-Base interactions energy: -995.486 where: short stacking energy: -460.454 Base-Backbone interact. energy: 4.920 local terms energy: -556.224593 where: bonds (distance) C4'-P energy: -142.886 bonds (distance) P-C4' energy: -122.942 flat angles C4'-P-C4' energy: -130.684 flat angles P-C4'-P energy: -78.217 tors. eta vs tors. theta energy: -81.495 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: 10, replica: 6 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1408.756836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.756836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.756836 (E_RNA) where: Base-Base interactions energy: -898.856 where: short stacking energy: -433.071 Base-Backbone interact. energy: 0.334 local terms energy: -510.235101 where: bonds (distance) C4'-P energy: -129.363 bonds (distance) P-C4' energy: -126.934 flat angles C4'-P-C4' energy: -111.504 flat angles P-C4'-P energy: -74.371 tors. eta vs tors. theta energy: -68.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2869.799564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.799564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.799564 (E_RNA) where: Base-Base interactions energy: -2041.537 where: short stacking energy: -874.670 Base-Backbone interact. energy: -2.397 local terms energy: -825.865634 where: bonds (distance) C4'-P energy: -166.628 bonds (distance) P-C4' energy: -152.340 flat angles C4'-P-C4' energy: -168.511 flat angles P-C4'-P energy: -116.687 tors. eta vs tors. theta energy: -221.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2726.956577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.956577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.956577 (E_RNA) where: Base-Base interactions energy: -1880.143 where: short stacking energy: -852.784 Base-Backbone interact. energy: -6.682 local terms energy: -840.131362 where: bonds (distance) C4'-P energy: -169.066 bonds (distance) P-C4' energy: -161.641 flat angles C4'-P-C4' energy: -182.155 flat angles P-C4'-P energy: -93.940 tors. eta vs tors. theta energy: -233.330 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: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2596.697413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.697413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.697413 (E_RNA) where: Base-Base interactions energy: -1825.496 where: short stacking energy: -787.133 Base-Backbone interact. energy: -0.048 local terms energy: -771.153605 where: bonds (distance) C4'-P energy: -149.432 bonds (distance) P-C4' energy: -148.672 flat angles C4'-P-C4' energy: -163.993 flat angles P-C4'-P energy: -112.771 tors. eta vs tors. theta energy: -196.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2461.847167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.847167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.847167 (E_RNA) where: Base-Base interactions energy: -1682.824 where: short stacking energy: -756.811 Base-Backbone interact. energy: -2.682 local terms energy: -776.341498 where: bonds (distance) C4'-P energy: -137.143 bonds (distance) P-C4' energy: -145.595 flat angles C4'-P-C4' energy: -177.765 flat angles P-C4'-P energy: -118.614 tors. eta vs tors. theta energy: -197.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2363.168504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.168504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.168504 (E_RNA) where: Base-Base interactions energy: -1623.776 where: short stacking energy: -687.758 Base-Backbone interact. energy: 0.790 local terms energy: -740.182403 where: bonds (distance) C4'-P energy: -153.622 bonds (distance) P-C4' energy: -153.024 flat angles C4'-P-C4' energy: -155.742 flat angles P-C4'-P energy: -113.467 tors. eta vs tors. theta energy: -164.327 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: 70 Temperature: 1.150000 Total energy: -2254.041418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.041418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.041418 (E_RNA) where: Base-Base interactions energy: -1544.757 where: short stacking energy: -709.966 Base-Backbone interact. energy: -2.248 local terms energy: -707.035883 where: bonds (distance) C4'-P energy: -138.313 bonds (distance) P-C4' energy: -147.328 flat angles C4'-P-C4' energy: -154.272 flat angles P-C4'-P energy: -93.765 tors. eta vs tors. theta energy: -173.358 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: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1956.716079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.716079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.716079 (E_RNA) where: Base-Base interactions energy: -1281.756 where: short stacking energy: -549.474 Base-Backbone interact. energy: -0.695 local terms energy: -674.265464 where: bonds (distance) C4'-P energy: -149.751 bonds (distance) P-C4' energy: -152.819 flat angles C4'-P-C4' energy: -146.645 flat angles P-C4'-P energy: -88.182 tors. eta vs tors. theta energy: -136.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1845.019008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.019008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.019008 (E_RNA) where: Base-Base interactions energy: -1236.443 where: short stacking energy: -553.409 Base-Backbone interact. energy: 2.585 local terms energy: -611.160228 where: bonds (distance) C4'-P energy: -127.753 bonds (distance) P-C4' energy: -133.296 flat angles C4'-P-C4' energy: -152.211 flat angles P-C4'-P energy: -95.695 tors. eta vs tors. theta energy: -102.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1460.891122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.891122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.891122 (E_RNA) where: Base-Base interactions energy: -914.446 where: short stacking energy: -426.518 Base-Backbone interact. energy: -3.028 local terms energy: -543.416495 where: bonds (distance) C4'-P energy: -126.297 bonds (distance) P-C4' energy: -135.297 flat angles C4'-P-C4' energy: -123.239 flat angles P-C4'-P energy: -85.521 tors. eta vs tors. theta energy: -73.063 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: 3 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1523.065586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.065586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.065586 (E_RNA) where: Base-Base interactions energy: -969.248 where: short stacking energy: -438.857 Base-Backbone interact. energy: -3.853 local terms energy: -549.964672 where: bonds (distance) C4'-P energy: -117.322 bonds (distance) P-C4' energy: -121.986 flat angles C4'-P-C4' energy: -134.950 flat angles P-C4'-P energy: -90.913 tors. eta vs tors. theta energy: -84.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2876.200893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.200893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.200893 (E_RNA) where: Base-Base interactions energy: -2034.807 where: short stacking energy: -893.235 Base-Backbone interact. energy: -4.318 local terms energy: -837.075811 where: bonds (distance) C4'-P energy: -134.037 bonds (distance) P-C4' energy: -160.259 flat angles C4'-P-C4' energy: -190.880 flat angles P-C4'-P energy: -120.063 tors. eta vs tors. theta energy: -231.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2684.678546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.678546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.678546 (E_RNA) where: Base-Base interactions energy: -1879.051 where: short stacking energy: -822.039 Base-Backbone interact. energy: -0.058 local terms energy: -805.568825 where: bonds (distance) C4'-P energy: -146.205 bonds (distance) P-C4' energy: -155.483 flat angles C4'-P-C4' energy: -178.680 flat angles P-C4'-P energy: -104.567 tors. eta vs tors. theta energy: -220.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2581.768353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.768353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.768353 (E_RNA) where: Base-Base interactions energy: -1823.291 where: short stacking energy: -770.146 Base-Backbone interact. energy: 2.086 local terms energy: -760.563334 where: bonds (distance) C4'-P energy: -134.059 bonds (distance) P-C4' energy: -156.371 flat angles C4'-P-C4' energy: -173.377 flat angles P-C4'-P energy: -116.387 tors. eta vs tors. theta energy: -180.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2478.773263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.773263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.773263 (E_RNA) where: Base-Base interactions energy: -1723.763 where: short stacking energy: -746.531 Base-Backbone interact. energy: -0.282 local terms energy: -754.728477 where: bonds (distance) C4'-P energy: -147.815 bonds (distance) P-C4' energy: -156.621 flat angles C4'-P-C4' energy: -168.135 flat angles P-C4'-P energy: -95.944 tors. eta vs tors. theta energy: -186.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2372.184665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.184665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.184665 (E_RNA) where: Base-Base interactions energy: -1666.328 where: short stacking energy: -726.527 Base-Backbone interact. energy: -4.439 local terms energy: -701.417851 where: bonds (distance) C4'-P energy: -119.985 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -167.613 flat angles P-C4'-P energy: -102.251 tors. eta vs tors. theta energy: -173.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2235.338894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.338894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.338894 (E_RNA) where: Base-Base interactions energy: -1514.585 where: short stacking energy: -710.726 Base-Backbone interact. energy: -0.210 local terms energy: -720.544189 where: bonds (distance) C4'-P energy: -133.088 bonds (distance) P-C4' energy: -149.379 flat angles C4'-P-C4' energy: -156.868 flat angles P-C4'-P energy: -96.166 tors. eta vs tors. theta energy: -185.043 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: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1952.166429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.166429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.166429 (E_RNA) where: Base-Base interactions energy: -1286.146 where: short stacking energy: -570.951 Base-Backbone interact. energy: -4.033 local terms energy: -661.987719 where: bonds (distance) C4'-P energy: -140.482 bonds (distance) P-C4' energy: -143.583 flat angles C4'-P-C4' energy: -155.251 flat angles P-C4'-P energy: -93.548 tors. eta vs tors. theta energy: -129.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1875.291440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.291440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.291440 (E_RNA) where: Base-Base interactions energy: -1225.515 where: short stacking energy: -508.426 Base-Backbone interact. energy: -0.741 local terms energy: -649.035785 where: bonds (distance) C4'-P energy: -143.333 bonds (distance) P-C4' energy: -150.470 flat angles C4'-P-C4' energy: -164.181 flat angles P-C4'-P energy: -87.385 tors. eta vs tors. theta energy: -103.667 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: 71 Temperature: 1.300000 Total energy: -1495.001408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.001408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.001408 (E_RNA) where: Base-Base interactions energy: -977.332 where: short stacking energy: -457.040 Base-Backbone interact. energy: -3.681 local terms energy: -513.987708 where: bonds (distance) C4'-P energy: -110.715 bonds (distance) P-C4' energy: -137.409 flat angles C4'-P-C4' energy: -132.066 flat angles P-C4'-P energy: -71.321 tors. eta vs tors. theta energy: -62.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1470.680556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.680556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.680556 (E_RNA) where: Base-Base interactions energy: -927.726 where: short stacking energy: -456.141 Base-Backbone interact. energy: 0.457 local terms energy: -543.411675 where: bonds (distance) C4'-P energy: -111.322 bonds (distance) P-C4' energy: -146.471 flat angles C4'-P-C4' energy: -135.265 flat angles P-C4'-P energy: -63.628 tors. eta vs tors. theta energy: -86.727 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: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2893.819642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.819642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.819642 (E_RNA) where: Base-Base interactions energy: -2040.027 where: short stacking energy: -890.117 Base-Backbone interact. energy: -4.574 local terms energy: -849.219043 where: bonds (distance) C4'-P energy: -148.252 bonds (distance) P-C4' energy: -158.619 flat angles C4'-P-C4' energy: -182.047 flat angles P-C4'-P energy: -118.920 tors. eta vs tors. theta energy: -241.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2692.486881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.486881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.486881 (E_RNA) where: Base-Base interactions energy: -1872.111 where: short stacking energy: -809.131 Base-Backbone interact. energy: -0.869 local terms energy: -819.507010 where: bonds (distance) C4'-P energy: -155.549 bonds (distance) P-C4' energy: -161.664 flat angles C4'-P-C4' energy: -175.548 flat angles P-C4'-P energy: -107.530 tors. eta vs tors. theta energy: -219.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2610.754971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.754971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.754971 (E_RNA) where: Base-Base interactions energy: -1790.758 where: short stacking energy: -766.617 Base-Backbone interact. energy: -1.169 local terms energy: -818.828576 where: bonds (distance) C4'-P energy: -155.735 bonds (distance) P-C4' energy: -155.828 flat angles C4'-P-C4' energy: -175.446 flat angles P-C4'-P energy: -115.562 tors. eta vs tors. theta energy: -216.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2467.023939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.023939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.023939 (E_RNA) where: Base-Base interactions energy: -1750.071 where: short stacking energy: -759.800 Base-Backbone interact. energy: -3.099 local terms energy: -713.853524 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -140.933 flat angles C4'-P-C4' energy: -159.535 flat angles P-C4'-P energy: -104.405 tors. eta vs tors. theta energy: -195.296 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: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2321.385677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.385677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.385677 (E_RNA) where: Base-Base interactions energy: -1606.298 where: short stacking energy: -683.435 Base-Backbone interact. energy: -0.998 local terms energy: -714.090210 where: bonds (distance) C4'-P energy: -133.191 bonds (distance) P-C4' energy: -148.125 flat angles C4'-P-C4' energy: -156.882 flat angles P-C4'-P energy: -106.782 tors. eta vs tors. theta energy: -169.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2259.593308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.593308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.593308 (E_RNA) where: Base-Base interactions energy: -1537.622 where: short stacking energy: -687.910 Base-Backbone interact. energy: 4.537 local terms energy: -726.508433 where: bonds (distance) C4'-P energy: -154.800 bonds (distance) P-C4' energy: -133.311 flat angles C4'-P-C4' energy: -153.810 flat angles P-C4'-P energy: -106.263 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: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1894.221324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.221324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.221324 (E_RNA) where: Base-Base interactions energy: -1283.853 where: short stacking energy: -564.027 Base-Backbone interact. energy: 2.582 local terms energy: -612.951080 where: bonds (distance) C4'-P energy: -130.270 bonds (distance) P-C4' energy: -136.510 flat angles C4'-P-C4' energy: -142.181 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -136.984 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: 72 Temperature: 1.250000 Total energy: -1896.552774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.552774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.552774 (E_RNA) where: Base-Base interactions energy: -1291.477 where: short stacking energy: -585.332 Base-Backbone interact. energy: 3.340 local terms energy: -608.415261 where: bonds (distance) C4'-P energy: -114.441 bonds (distance) P-C4' energy: -139.029 flat angles C4'-P-C4' energy: -155.273 flat angles P-C4'-P energy: -73.177 tors. eta vs tors. theta energy: -126.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1533.354193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.354193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.354193 (E_RNA) where: Base-Base interactions energy: -1013.126 where: short stacking energy: -484.799 Base-Backbone interact. energy: 11.327 local terms energy: -531.555617 where: bonds (distance) C4'-P energy: -109.231 bonds (distance) P-C4' energy: -137.253 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -84.829 tors. eta vs tors. theta energy: -97.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1496.103356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.103356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.103356 (E_RNA) where: Base-Base interactions energy: -985.793 where: short stacking energy: -439.930 Base-Backbone interact. energy: -0.447 local terms energy: -509.863607 where: bonds (distance) C4'-P energy: -137.666 bonds (distance) P-C4' energy: -112.471 flat angles C4'-P-C4' energy: -142.925 flat angles P-C4'-P energy: -73.744 tors. eta vs tors. theta energy: -43.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2891.857861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.857861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.857861 (E_RNA) where: Base-Base interactions energy: -2000.238 where: short stacking energy: -882.640 Base-Backbone interact. energy: -6.978 local terms energy: -884.641904 where: bonds (distance) C4'-P energy: -162.211 bonds (distance) P-C4' energy: -163.845 flat angles C4'-P-C4' energy: -186.201 flat angles P-C4'-P energy: -139.923 tors. eta vs tors. theta energy: -232.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2687.846754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.846754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.846754 (E_RNA) where: Base-Base interactions energy: -1870.783 where: short stacking energy: -854.969 Base-Backbone interact. energy: -2.722 local terms energy: -814.341182 where: bonds (distance) C4'-P energy: -156.888 bonds (distance) P-C4' energy: -153.093 flat angles C4'-P-C4' energy: -168.899 flat angles P-C4'-P energy: -118.458 tors. eta vs tors. theta energy: -217.002 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: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2640.019615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.019615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.019615 (E_RNA) where: Base-Base interactions energy: -1822.706 where: short stacking energy: -812.267 Base-Backbone interact. energy: -5.263 local terms energy: -812.050715 where: bonds (distance) C4'-P energy: -131.735 bonds (distance) P-C4' energy: -160.523 flat angles C4'-P-C4' energy: -174.388 flat angles P-C4'-P energy: -113.503 tors. eta vs tors. theta energy: -231.901 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: 73 Temperature: 1.050000 Total energy: -2453.096556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.096556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.096556 (E_RNA) where: Base-Base interactions energy: -1678.768 where: short stacking energy: -734.934 Base-Backbone interact. energy: -1.652 local terms energy: -772.676000 where: bonds (distance) C4'-P energy: -137.609 bonds (distance) P-C4' energy: -156.288 flat angles C4'-P-C4' energy: -166.115 flat angles P-C4'-P energy: -119.446 tors. eta vs tors. theta energy: -193.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2380.063714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.063714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.063714 (E_RNA) where: Base-Base interactions energy: -1642.961 where: short stacking energy: -719.534 Base-Backbone interact. energy: -4.379 local terms energy: -732.723279 where: bonds (distance) C4'-P energy: -139.500 bonds (distance) P-C4' energy: -145.218 flat angles C4'-P-C4' energy: -160.819 flat angles P-C4'-P energy: -104.906 tors. eta vs tors. theta energy: -182.281 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: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2324.249278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.249278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.249278 (E_RNA) where: Base-Base interactions energy: -1600.756 where: short stacking energy: -702.049 Base-Backbone interact. energy: -5.052 local terms energy: -718.440812 where: bonds (distance) C4'-P energy: -139.067 bonds (distance) P-C4' energy: -138.119 flat angles C4'-P-C4' energy: -160.110 flat angles P-C4'-P energy: -106.631 tors. eta vs tors. theta energy: -174.514 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: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1987.540383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.540383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.540383 (E_RNA) where: Base-Base interactions energy: -1357.293 where: short stacking energy: -604.276 Base-Backbone interact. energy: -4.671 local terms energy: -625.577229 where: bonds (distance) C4'-P energy: -123.099 bonds (distance) P-C4' energy: -120.711 flat angles C4'-P-C4' energy: -138.376 flat angles P-C4'-P energy: -91.100 tors. eta vs tors. theta energy: -152.291 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: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1852.866127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.866127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.866127 (E_RNA) where: Base-Base interactions energy: -1267.785 where: short stacking energy: -543.171 Base-Backbone interact. energy: 0.258 local terms energy: -585.339120 where: bonds (distance) C4'-P energy: -128.095 bonds (distance) P-C4' energy: -134.398 flat angles C4'-P-C4' energy: -123.917 flat angles P-C4'-P energy: -81.563 tors. eta vs tors. theta energy: -117.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1537.521222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.521222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.521222 (E_RNA) where: Base-Base interactions energy: -966.463 where: short stacking energy: -492.007 Base-Backbone interact. energy: -3.248 local terms energy: -567.810527 where: bonds (distance) C4'-P energy: -109.866 bonds (distance) P-C4' energy: -126.631 flat angles C4'-P-C4' energy: -138.474 flat angles P-C4'-P energy: -92.766 tors. eta vs tors. theta energy: -100.074 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: 3 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1461.848659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.848659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.848659 (E_RNA) where: Base-Base interactions energy: -920.636 where: short stacking energy: -422.843 Base-Backbone interact. energy: -0.718 local terms energy: -540.493876 where: bonds (distance) C4'-P energy: -121.942 bonds (distance) P-C4' energy: -137.288 flat angles C4'-P-C4' energy: -133.433 flat angles P-C4'-P energy: -85.549 tors. eta vs tors. theta energy: -62.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2904.785881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.785881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.785881 (E_RNA) where: Base-Base interactions energy: -2057.043 where: short stacking energy: -888.363 Base-Backbone interact. energy: -2.909 local terms energy: -844.833389 where: bonds (distance) C4'-P energy: -154.338 bonds (distance) P-C4' energy: -163.599 flat angles C4'-P-C4' energy: -181.858 flat angles P-C4'-P energy: -121.456 tors. eta vs tors. theta energy: -223.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2714.238238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.238238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.238238 (E_RNA) where: Base-Base interactions energy: -1888.874 where: short stacking energy: -838.648 Base-Backbone interact. energy: -4.373 local terms energy: -820.991062 where: bonds (distance) C4'-P energy: -149.168 bonds (distance) P-C4' energy: -147.985 flat angles C4'-P-C4' energy: -175.538 flat angles P-C4'-P energy: -122.247 tors. eta vs tors. theta energy: -226.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2673.206870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.206870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.206870 (E_RNA) where: Base-Base interactions energy: -1848.857 where: short stacking energy: -806.768 Base-Backbone interact. energy: -3.343 local terms energy: -821.007116 where: bonds (distance) C4'-P energy: -137.616 bonds (distance) P-C4' energy: -155.036 flat angles C4'-P-C4' energy: -183.474 flat angles P-C4'-P energy: -111.813 tors. eta vs tors. theta energy: -233.068 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: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2441.739980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.739980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.739980 (E_RNA) where: Base-Base interactions energy: -1719.508 where: short stacking energy: -749.488 Base-Backbone interact. energy: -2.010 local terms energy: -720.221741 where: bonds (distance) C4'-P energy: -136.688 bonds (distance) P-C4' energy: -142.050 flat angles C4'-P-C4' energy: -159.172 flat angles P-C4'-P energy: -109.890 tors. eta vs tors. theta energy: -172.422 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: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2404.786068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.786068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.786068 (E_RNA) where: Base-Base interactions energy: -1651.282 where: short stacking energy: -744.782 Base-Backbone interact. energy: -5.234 local terms energy: -748.270981 where: bonds (distance) C4'-P energy: -129.494 bonds (distance) P-C4' energy: -147.070 flat angles C4'-P-C4' energy: -160.069 flat angles P-C4'-P energy: -115.032 tors. eta vs tors. theta energy: -196.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2306.811536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.811536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.811536 (E_RNA) where: Base-Base interactions energy: -1603.328 where: short stacking energy: -683.481 Base-Backbone interact. energy: -2.563 local terms energy: -700.921165 where: bonds (distance) C4'-P energy: -136.442 bonds (distance) P-C4' energy: -157.701 flat angles C4'-P-C4' energy: -147.892 flat angles P-C4'-P energy: -96.694 tors. eta vs tors. theta energy: -162.194 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: 74 Temperature: 1.200000 Total energy: -1960.759951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.759951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.759951 (E_RNA) where: Base-Base interactions energy: -1320.087 where: short stacking energy: -600.609 Base-Backbone interact. energy: -4.919 local terms energy: -635.754210 where: bonds (distance) C4'-P energy: -143.899 bonds (distance) P-C4' energy: -127.868 flat angles C4'-P-C4' energy: -149.285 flat angles P-C4'-P energy: -79.379 tors. eta vs tors. theta energy: -135.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1858.348358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.348358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.348358 (E_RNA) where: Base-Base interactions energy: -1261.602 where: short stacking energy: -552.462 Base-Backbone interact. energy: 3.321 local terms energy: -600.067612 where: bonds (distance) C4'-P energy: -136.592 bonds (distance) P-C4' energy: -126.646 flat angles C4'-P-C4' energy: -134.841 flat angles P-C4'-P energy: -94.778 tors. eta vs tors. theta energy: -107.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1468.438027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.438027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.438027 (E_RNA) where: Base-Base interactions energy: -947.854 where: short stacking energy: -431.720 Base-Backbone interact. energy: 1.673 local terms energy: -522.257082 where: bonds (distance) C4'-P energy: -119.832 bonds (distance) P-C4' energy: -138.932 flat angles C4'-P-C4' energy: -113.979 flat angles P-C4'-P energy: -79.124 tors. eta vs tors. theta energy: -70.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1536.808009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.808009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.808009 (E_RNA) where: Base-Base interactions energy: -1024.354 where: short stacking energy: -460.263 Base-Backbone interact. energy: -2.116 local terms energy: -510.338610 where: bonds (distance) C4'-P energy: -126.674 bonds (distance) P-C4' energy: -117.126 flat angles C4'-P-C4' energy: -118.604 flat angles P-C4'-P energy: -75.230 tors. eta vs tors. theta energy: -72.705 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: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2911.283212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.283212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.283212 (E_RNA) where: Base-Base interactions energy: -2048.328 where: short stacking energy: -907.223 Base-Backbone interact. energy: -1.565 local terms energy: -861.389913 where: bonds (distance) C4'-P energy: -156.923 bonds (distance) P-C4' energy: -163.216 flat angles C4'-P-C4' energy: -193.092 flat angles P-C4'-P energy: -112.828 tors. eta vs tors. theta energy: -235.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2738.436884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.436884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.436884 (E_RNA) where: Base-Base interactions energy: -1947.197 where: short stacking energy: -838.815 Base-Backbone interact. energy: -2.700 local terms energy: -788.539548 where: bonds (distance) C4'-P energy: -144.235 bonds (distance) P-C4' energy: -144.762 flat angles C4'-P-C4' energy: -174.337 flat angles P-C4'-P energy: -118.285 tors. eta vs tors. theta energy: -206.920 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: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2602.520026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.520026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.520026 (E_RNA) where: Base-Base interactions energy: -1800.878 where: short stacking energy: -783.849 Base-Backbone interact. energy: 0.420 local terms energy: -802.062148 where: bonds (distance) C4'-P energy: -147.141 bonds (distance) P-C4' energy: -151.903 flat angles C4'-P-C4' energy: -169.066 flat angles P-C4'-P energy: -124.450 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: 4, replica: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2503.939006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.939006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.939006 (E_RNA) where: Base-Base interactions energy: -1728.169 where: short stacking energy: -739.302 Base-Backbone interact. energy: -2.948 local terms energy: -772.821796 where: bonds (distance) C4'-P energy: -145.566 bonds (distance) P-C4' energy: -169.241 flat angles C4'-P-C4' energy: -173.109 flat angles P-C4'-P energy: -106.121 tors. eta vs tors. theta energy: -178.784 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: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2435.182643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.182643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.182643 (E_RNA) where: Base-Base interactions energy: -1698.875 where: short stacking energy: -735.820 Base-Backbone interact. energy: -0.306 local terms energy: -736.001362 where: bonds (distance) C4'-P energy: -151.950 bonds (distance) P-C4' energy: -149.700 flat angles C4'-P-C4' energy: -153.801 flat angles P-C4'-P energy: -100.512 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: 6, replica: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2210.360512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.360512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.360512 (E_RNA) where: Base-Base interactions energy: -1536.422 where: short stacking energy: -666.606 Base-Backbone interact. energy: 1.639 local terms energy: -675.577026 where: bonds (distance) C4'-P energy: -125.085 bonds (distance) P-C4' energy: -133.431 flat angles C4'-P-C4' energy: -160.342 flat angles P-C4'-P energy: -88.082 tors. eta vs tors. theta energy: -168.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -2013.767284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.767284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.767284 (E_RNA) where: Base-Base interactions energy: -1358.942 where: short stacking energy: -621.242 Base-Backbone interact. energy: 1.841 local terms energy: -656.666065 where: bonds (distance) C4'-P energy: -137.112 bonds (distance) P-C4' energy: -137.528 flat angles C4'-P-C4' energy: -140.779 flat angles P-C4'-P energy: -87.053 tors. eta vs tors. theta energy: -154.195 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: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1882.459075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.459075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.459075 (E_RNA) where: Base-Base interactions energy: -1278.295 where: short stacking energy: -566.618 Base-Backbone interact. energy: 1.348 local terms energy: -605.512074 where: bonds (distance) C4'-P energy: -123.156 bonds (distance) P-C4' energy: -123.940 flat angles C4'-P-C4' energy: -154.048 flat angles P-C4'-P energy: -89.496 tors. eta vs tors. theta energy: -114.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1472.847612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.847612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.847612 (E_RNA) where: Base-Base interactions energy: -934.974 where: short stacking energy: -441.600 Base-Backbone interact. energy: 2.874 local terms energy: -540.747802 where: bonds (distance) C4'-P energy: -136.907 bonds (distance) P-C4' energy: -120.627 flat angles C4'-P-C4' energy: -137.615 flat angles P-C4'-P energy: -68.049 tors. eta vs tors. theta energy: -77.549 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: 3 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1500.014094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.014094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.014094 (E_RNA) where: Base-Base interactions energy: -956.419 where: short stacking energy: -421.154 Base-Backbone interact. energy: -0.663 local terms energy: -542.932671 where: bonds (distance) C4'-P energy: -126.116 bonds (distance) P-C4' energy: -146.541 flat angles C4'-P-C4' energy: -118.928 flat angles P-C4'-P energy: -73.305 tors. eta vs tors. theta energy: -78.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2900.204354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.204354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.204354 (E_RNA) where: Base-Base interactions energy: -2038.697 where: short stacking energy: -895.211 Base-Backbone interact. energy: -1.820 local terms energy: -859.686739 where: bonds (distance) C4'-P energy: -150.306 bonds (distance) P-C4' energy: -171.029 flat angles C4'-P-C4' energy: -182.690 flat angles P-C4'-P energy: -124.422 tors. eta vs tors. theta energy: -231.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2762.151627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.151627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.151627 (E_RNA) where: Base-Base interactions energy: -1917.698 where: short stacking energy: -839.187 Base-Backbone interact. energy: -2.929 local terms energy: -841.525227 where: bonds (distance) C4'-P energy: -153.365 bonds (distance) P-C4' energy: -155.302 flat angles C4'-P-C4' energy: -191.426 flat angles P-C4'-P energy: -125.330 tors. eta vs tors. theta energy: -216.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2617.845294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.845294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.845294 (E_RNA) where: Base-Base interactions energy: -1819.386 where: short stacking energy: -793.193 Base-Backbone interact. energy: -6.821 local terms energy: -791.638416 where: bonds (distance) C4'-P energy: -131.772 bonds (distance) P-C4' energy: -145.716 flat angles C4'-P-C4' energy: -175.546 flat angles P-C4'-P energy: -115.248 tors. eta vs tors. theta energy: -223.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2473.053987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.053987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.053987 (E_RNA) where: Base-Base interactions energy: -1739.818 where: short stacking energy: -746.461 Base-Backbone interact. energy: -3.739 local terms energy: -729.497331 where: bonds (distance) C4'-P energy: -135.566 bonds (distance) P-C4' energy: -142.169 flat angles C4'-P-C4' energy: -177.969 flat angles P-C4'-P energy: -101.942 tors. eta vs tors. theta energy: -171.851 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: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2445.307379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.307379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.307379 (E_RNA) where: Base-Base interactions energy: -1700.336 where: short stacking energy: -769.998 Base-Backbone interact. energy: -3.594 local terms energy: -741.377685 where: bonds (distance) C4'-P energy: -133.895 bonds (distance) P-C4' energy: -149.849 flat angles C4'-P-C4' energy: -152.901 flat angles P-C4'-P energy: -93.104 tors. eta vs tors. theta energy: -211.629 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: 10 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2191.077658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.077658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.077658 (E_RNA) where: Base-Base interactions energy: -1525.276 where: short stacking energy: -663.215 Base-Backbone interact. energy: -4.063 local terms energy: -661.738636 where: bonds (distance) C4'-P energy: -135.332 bonds (distance) P-C4' energy: -123.125 flat angles C4'-P-C4' energy: -144.727 flat angles P-C4'-P energy: -92.384 tors. eta vs tors. theta energy: -166.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -2028.061125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.061125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.061125 (E_RNA) where: Base-Base interactions energy: -1369.694 where: short stacking energy: -601.267 Base-Backbone interact. energy: -3.998 local terms energy: -654.369294 where: bonds (distance) C4'-P energy: -126.471 bonds (distance) P-C4' energy: -133.317 flat angles C4'-P-C4' energy: -153.009 flat angles P-C4'-P energy: -100.907 tors. eta vs tors. theta energy: -140.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1843.135454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.135454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.135454 (E_RNA) where: Base-Base interactions energy: -1240.131 where: short stacking energy: -541.883 Base-Backbone interact. energy: -4.689 local terms energy: -598.315500 where: bonds (distance) C4'-P energy: -126.335 bonds (distance) P-C4' energy: -145.493 flat angles C4'-P-C4' energy: -147.092 flat angles P-C4'-P energy: -77.431 tors. eta vs tors. theta energy: -101.966 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: 3 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1565.711919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.711919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.711919 (E_RNA) where: Base-Base interactions energy: -1062.112 where: short stacking energy: -459.904 Base-Backbone interact. energy: 0.385 local terms energy: -503.985232 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -112.209 flat angles C4'-P-C4' energy: -119.664 flat angles P-C4'-P energy: -58.684 tors. eta vs tors. theta energy: -81.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1418.843951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.843951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.843951 (E_RNA) where: Base-Base interactions energy: -900.484 where: short stacking energy: -413.948 Base-Backbone interact. energy: -1.247 local terms energy: -517.113396 where: bonds (distance) C4'-P energy: -130.704 bonds (distance) P-C4' energy: -125.162 flat angles C4'-P-C4' energy: -136.162 flat angles P-C4'-P energy: -62.034 tors. eta vs tors. theta energy: -63.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2892.443522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.443522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.443522 (E_RNA) where: Base-Base interactions energy: -2011.781 where: short stacking energy: -885.905 Base-Backbone interact. energy: -0.485 local terms energy: -880.177749 where: bonds (distance) C4'-P energy: -162.456 bonds (distance) P-C4' energy: -179.153 flat angles C4'-P-C4' energy: -177.768 flat angles P-C4'-P energy: -122.452 tors. eta vs tors. theta energy: -238.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2770.660007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.660007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.660007 (E_RNA) where: Base-Base interactions energy: -1924.248 where: short stacking energy: -837.121 Base-Backbone interact. energy: -5.534 local terms energy: -840.878323 where: bonds (distance) C4'-P energy: -156.485 bonds (distance) P-C4' energy: -170.672 flat angles C4'-P-C4' energy: -175.216 flat angles P-C4'-P energy: -116.495 tors. eta vs tors. theta energy: -222.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2617.692937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.692937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.692937 (E_RNA) where: Base-Base interactions energy: -1822.145 where: short stacking energy: -789.347 Base-Backbone interact. energy: -3.314 local terms energy: -792.233753 where: bonds (distance) C4'-P energy: -131.799 bonds (distance) P-C4' energy: -165.969 flat angles C4'-P-C4' energy: -168.788 flat angles P-C4'-P energy: -112.707 tors. eta vs tors. theta energy: -212.971 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: 77 Temperature: 1.050000 Total energy: -2477.807909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.807909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.807909 (E_RNA) where: Base-Base interactions energy: -1739.035 where: short stacking energy: -764.971 Base-Backbone interact. energy: 0.045 local terms energy: -738.818411 where: bonds (distance) C4'-P energy: -149.702 bonds (distance) P-C4' energy: -151.774 flat angles C4'-P-C4' energy: -162.333 flat angles P-C4'-P energy: -106.081 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: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2425.521001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.521001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.521001 (E_RNA) where: Base-Base interactions energy: -1670.607 where: short stacking energy: -752.099 Base-Backbone interact. energy: -2.959 local terms energy: -751.954969 where: bonds (distance) C4'-P energy: -144.651 bonds (distance) P-C4' energy: -145.520 flat angles C4'-P-C4' energy: -165.029 flat angles P-C4'-P energy: -100.507 tors. eta vs tors. theta energy: -196.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2231.397597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.397597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.397597 (E_RNA) where: Base-Base interactions energy: -1536.084 where: short stacking energy: -654.281 Base-Backbone interact. energy: -3.984 local terms energy: -691.329585 where: bonds (distance) C4'-P energy: -132.654 bonds (distance) P-C4' energy: -130.532 flat angles C4'-P-C4' energy: -154.509 flat angles P-C4'-P energy: -105.573 tors. eta vs tors. theta energy: -168.063 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: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -2034.131033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.131033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.131033 (E_RNA) where: Base-Base interactions energy: -1388.778 where: short stacking energy: -621.142 Base-Backbone interact. energy: -3.004 local terms energy: -642.348699 where: bonds (distance) C4'-P energy: -117.405 bonds (distance) P-C4' energy: -133.670 flat angles C4'-P-C4' energy: -150.749 flat angles P-C4'-P energy: -97.385 tors. eta vs tors. theta energy: -143.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1774.757366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.757366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.757366 (E_RNA) where: Base-Base interactions energy: -1197.551 where: short stacking energy: -532.603 Base-Backbone interact. energy: -2.318 local terms energy: -574.887963 where: bonds (distance) C4'-P energy: -130.507 bonds (distance) P-C4' energy: -119.948 flat angles C4'-P-C4' energy: -138.031 flat angles P-C4'-P energy: -85.315 tors. eta vs tors. theta energy: -101.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1604.976753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.976753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.976753 (E_RNA) where: Base-Base interactions energy: -1061.433 where: short stacking energy: -452.540 Base-Backbone interact. energy: -2.575 local terms energy: -540.969042 where: bonds (distance) C4'-P energy: -128.989 bonds (distance) P-C4' energy: -128.687 flat angles C4'-P-C4' energy: -119.392 flat angles P-C4'-P energy: -80.224 tors. eta vs tors. theta energy: -83.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1362.491515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.491515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.491515 (E_RNA) where: Base-Base interactions energy: -842.661 where: short stacking energy: -403.762 Base-Backbone interact. energy: -4.470 local terms energy: -515.360759 where: bonds (distance) C4'-P energy: -120.986 bonds (distance) P-C4' energy: -127.982 flat angles C4'-P-C4' energy: -117.862 flat angles P-C4'-P energy: -88.457 tors. eta vs tors. theta energy: -60.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2872.448435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.448435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.448435 (E_RNA) where: Base-Base interactions energy: -2015.715 where: short stacking energy: -872.305 Base-Backbone interact. energy: -4.094 local terms energy: -852.639801 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -158.030 flat angles C4'-P-C4' energy: -182.631 flat angles P-C4'-P energy: -140.092 tors. eta vs tors. theta energy: -224.935 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: 2 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2746.750033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.750033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.750033 (E_RNA) where: Base-Base interactions energy: -1933.839 where: short stacking energy: -808.432 Base-Backbone interact. energy: 4.871 local terms energy: -817.782701 where: bonds (distance) C4'-P energy: -148.718 bonds (distance) P-C4' energy: -152.267 flat angles C4'-P-C4' energy: -175.644 flat angles P-C4'-P energy: -124.308 tors. eta vs tors. theta energy: -216.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2599.768666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.768666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.768666 (E_RNA) where: Base-Base interactions energy: -1778.113 where: short stacking energy: -789.201 Base-Backbone interact. energy: 2.246 local terms energy: -823.901819 where: bonds (distance) C4'-P energy: -164.395 bonds (distance) P-C4' energy: -155.873 flat angles C4'-P-C4' energy: -179.160 flat angles P-C4'-P energy: -104.852 tors. eta vs tors. theta energy: -219.621 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: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2492.541100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.541100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.541100 (E_RNA) where: Base-Base interactions energy: -1770.888 where: short stacking energy: -755.429 Base-Backbone interact. energy: -1.439 local terms energy: -720.213356 where: bonds (distance) C4'-P energy: -131.097 bonds (distance) P-C4' energy: -137.968 flat angles C4'-P-C4' energy: -172.619 flat angles P-C4'-P energy: -92.744 tors. eta vs tors. theta energy: -185.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2444.010623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.010623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.010623 (E_RNA) where: Base-Base interactions energy: -1697.302 where: short stacking energy: -757.032 Base-Backbone interact. energy: 0.342 local terms energy: -747.050902 where: bonds (distance) C4'-P energy: -126.173 bonds (distance) P-C4' energy: -144.186 flat angles C4'-P-C4' energy: -174.662 flat angles P-C4'-P energy: -114.894 tors. eta vs tors. theta energy: -187.136 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: 6, replica: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2170.125935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.125935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.125935 (E_RNA) where: Base-Base interactions energy: -1488.517 where: short stacking energy: -616.788 Base-Backbone interact. energy: -2.386 local terms energy: -679.222714 where: bonds (distance) C4'-P energy: -131.091 bonds (distance) P-C4' energy: -138.009 flat angles C4'-P-C4' energy: -159.118 flat angles P-C4'-P energy: -98.534 tors. eta vs tors. theta energy: -152.471 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: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1991.070176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.070176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.070176 (E_RNA) where: Base-Base interactions energy: -1351.533 where: short stacking energy: -621.319 Base-Backbone interact. energy: -5.081 local terms energy: -634.456090 where: bonds (distance) C4'-P energy: -142.693 bonds (distance) P-C4' energy: -149.621 flat angles C4'-P-C4' energy: -137.635 flat angles P-C4'-P energy: -68.805 tors. eta vs tors. theta energy: -135.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1823.770453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.770453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.770453 (E_RNA) where: Base-Base interactions energy: -1243.744 where: short stacking energy: -528.886 Base-Backbone interact. energy: -5.971 local terms energy: -574.055529 where: bonds (distance) C4'-P energy: -128.688 bonds (distance) P-C4' energy: -130.608 flat angles C4'-P-C4' energy: -125.046 flat angles P-C4'-P energy: -85.026 tors. eta vs tors. theta energy: -104.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1688.699041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.699041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.699041 (E_RNA) where: Base-Base interactions energy: -1118.973 where: short stacking energy: -482.700 Base-Backbone interact. energy: 3.254 local terms energy: -572.979910 where: bonds (distance) C4'-P energy: -118.118 bonds (distance) P-C4' energy: -142.329 flat angles C4'-P-C4' energy: -119.233 flat angles P-C4'-P energy: -101.264 tors. eta vs tors. theta energy: -92.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1404.474188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.474188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.474188 (E_RNA) where: Base-Base interactions energy: -916.010 where: short stacking energy: -398.070 Base-Backbone interact. energy: 6.790 local terms energy: -495.253618 where: bonds (distance) C4'-P energy: -124.287 bonds (distance) P-C4' energy: -121.608 flat angles C4'-P-C4' energy: -119.399 flat angles P-C4'-P energy: -78.356 tors. eta vs tors. theta energy: -51.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2868.503577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.503577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.503577 (E_RNA) where: Base-Base interactions energy: -2015.353 where: short stacking energy: -858.603 Base-Backbone interact. energy: -3.939 local terms energy: -849.212068 where: bonds (distance) C4'-P energy: -156.141 bonds (distance) P-C4' energy: -154.823 flat angles C4'-P-C4' energy: -180.198 flat angles P-C4'-P energy: -127.616 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: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2777.577310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.577310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.577310 (E_RNA) where: Base-Base interactions energy: -1960.499 where: short stacking energy: -812.812 Base-Backbone interact. energy: -1.930 local terms energy: -815.148834 where: bonds (distance) C4'-P energy: -157.991 bonds (distance) P-C4' energy: -151.836 flat angles C4'-P-C4' energy: -173.561 flat angles P-C4'-P energy: -119.061 tors. eta vs tors. theta energy: -212.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2604.447529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.447529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.447529 (E_RNA) where: Base-Base interactions energy: -1791.610 where: short stacking energy: -780.149 Base-Backbone interact. energy: -3.889 local terms energy: -808.948995 where: bonds (distance) C4'-P energy: -153.952 bonds (distance) P-C4' energy: -155.772 flat angles C4'-P-C4' energy: -174.619 flat angles P-C4'-P energy: -111.868 tors. eta vs tors. theta energy: -212.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2484.954214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.954214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.954214 (E_RNA) where: Base-Base interactions energy: -1700.554 where: short stacking energy: -761.085 Base-Backbone interact. energy: -0.993 local terms energy: -783.406710 where: bonds (distance) C4'-P energy: -142.444 bonds (distance) P-C4' energy: -160.325 flat angles C4'-P-C4' energy: -162.767 flat angles P-C4'-P energy: -116.665 tors. eta vs tors. theta energy: -201.206 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: 79 Temperature: 1.100000 Total energy: -2392.651199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.651199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.651199 (E_RNA) where: Base-Base interactions energy: -1697.988 where: short stacking energy: -709.166 Base-Backbone interact. energy: 1.291 local terms energy: -695.953785 where: bonds (distance) C4'-P energy: -133.691 bonds (distance) P-C4' energy: -136.087 flat angles C4'-P-C4' energy: -139.569 flat angles P-C4'-P energy: -106.898 tors. eta vs tors. theta energy: -179.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2128.351956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.351956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.351956 (E_RNA) where: Base-Base interactions energy: -1450.927 where: short stacking energy: -633.505 Base-Backbone interact. energy: -2.484 local terms energy: -674.940950 where: bonds (distance) C4'-P energy: -119.133 bonds (distance) P-C4' energy: -144.956 flat angles C4'-P-C4' energy: -149.614 flat angles P-C4'-P energy: -115.250 tors. eta vs tors. theta energy: -145.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -2152.872544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.872544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.872544 (E_RNA) where: Base-Base interactions energy: -1481.876 where: short stacking energy: -654.245 Base-Backbone interact. energy: 4.626 local terms energy: -675.621940 where: bonds (distance) C4'-P energy: -129.457 bonds (distance) P-C4' energy: -133.372 flat angles C4'-P-C4' energy: -140.017 flat angles P-C4'-P energy: -108.237 tors. eta vs tors. theta energy: -164.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1848.734917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.734917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.734917 (E_RNA) where: Base-Base interactions energy: -1270.540 where: short stacking energy: -581.553 Base-Backbone interact. energy: -2.501 local terms energy: -575.693501 where: bonds (distance) C4'-P energy: -116.059 bonds (distance) P-C4' energy: -125.880 flat angles C4'-P-C4' energy: -147.415 flat angles P-C4'-P energy: -80.069 tors. eta vs tors. theta energy: -106.270 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: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1684.327632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.327632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.327632 (E_RNA) where: Base-Base interactions energy: -1143.492 where: short stacking energy: -527.010 Base-Backbone interact. energy: 7.471 local terms energy: -548.306862 where: bonds (distance) C4'-P energy: -107.802 bonds (distance) P-C4' energy: -127.162 flat angles C4'-P-C4' energy: -150.408 flat angles P-C4'-P energy: -64.845 tors. eta vs tors. theta energy: -98.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1433.375207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.375207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.375207 (E_RNA) where: Base-Base interactions energy: -943.296 where: short stacking energy: -418.895 Base-Backbone interact. energy: 0.421 local terms energy: -490.500458 where: bonds (distance) C4'-P energy: -105.414 bonds (distance) P-C4' energy: -140.497 flat angles C4'-P-C4' energy: -116.982 flat angles P-C4'-P energy: -76.529 tors. eta vs tors. theta energy: -51.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2907.032357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.032357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.032357 (E_RNA) where: Base-Base interactions energy: -2018.620 where: short stacking energy: -885.007 Base-Backbone interact. energy: -2.923 local terms energy: -885.489626 where: bonds (distance) C4'-P energy: -155.907 bonds (distance) P-C4' energy: -177.754 flat angles C4'-P-C4' energy: -193.931 flat angles P-C4'-P energy: -116.631 tors. eta vs tors. theta energy: -241.266 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: 2, replica: 2 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2810.696317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.696317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.696317 (E_RNA) where: Base-Base interactions energy: -1997.932 where: short stacking energy: -859.085 Base-Backbone interact. energy: -4.353 local terms energy: -808.411396 where: bonds (distance) C4'-P energy: -145.169 bonds (distance) P-C4' energy: -146.874 flat angles C4'-P-C4' energy: -173.773 flat angles P-C4'-P energy: -117.247 tors. eta vs tors. theta energy: -225.349 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: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2609.208538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.208538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.208538 (E_RNA) where: Base-Base interactions energy: -1818.612 where: short stacking energy: -776.710 Base-Backbone interact. energy: -3.332 local terms energy: -787.264467 where: bonds (distance) C4'-P energy: -148.184 bonds (distance) P-C4' energy: -157.761 flat angles C4'-P-C4' energy: -174.568 flat angles P-C4'-P energy: -103.720 tors. eta vs tors. theta energy: -203.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2487.530169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.530169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.530169 (E_RNA) where: Base-Base interactions energy: -1710.974 where: short stacking energy: -750.930 Base-Backbone interact. energy: -0.760 local terms energy: -775.797030 where: bonds (distance) C4'-P energy: -146.183 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -187.307 flat angles P-C4'-P energy: -94.016 tors. eta vs tors. theta energy: -205.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2439.261697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.261697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.261697 (E_RNA) where: Base-Base interactions energy: -1724.318 where: short stacking energy: -755.474 Base-Backbone interact. energy: -2.164 local terms energy: -712.779591 where: bonds (distance) C4'-P energy: -122.118 bonds (distance) P-C4' energy: -149.594 flat angles C4'-P-C4' energy: -156.093 flat angles P-C4'-P energy: -107.568 tors. eta vs tors. theta energy: -177.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2206.256913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.256913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.256913 (E_RNA) where: Base-Base interactions energy: -1517.753 where: short stacking energy: -677.242 Base-Backbone interact. energy: -4.391 local terms energy: -684.113478 where: bonds (distance) C4'-P energy: -140.085 bonds (distance) P-C4' energy: -135.315 flat angles C4'-P-C4' energy: -163.417 flat angles P-C4'-P energy: -92.188 tors. eta vs tors. theta energy: -153.108 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: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -2110.471162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.471162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.471162 (E_RNA) where: Base-Base interactions energy: -1485.015 where: short stacking energy: -632.103 Base-Backbone interact. energy: -2.276 local terms energy: -623.180885 where: bonds (distance) C4'-P energy: -125.487 bonds (distance) P-C4' energy: -130.125 flat angles C4'-P-C4' energy: -129.049 flat angles P-C4'-P energy: -88.060 tors. eta vs tors. theta energy: -150.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1801.489139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.489139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.489139 (E_RNA) where: Base-Base interactions energy: -1237.840 where: short stacking energy: -530.923 Base-Backbone interact. energy: 7.702 local terms energy: -571.350518 where: bonds (distance) C4'-P energy: -105.746 bonds (distance) P-C4' energy: -135.989 flat angles C4'-P-C4' energy: -130.456 flat angles P-C4'-P energy: -87.628 tors. eta vs tors. theta energy: -111.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1695.766271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.766271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.766271 (E_RNA) where: Base-Base interactions energy: -1146.327 where: short stacking energy: -496.020 Base-Backbone interact. energy: -3.190 local terms energy: -546.249714 where: bonds (distance) C4'-P energy: -119.424 bonds (distance) P-C4' energy: -116.571 flat angles C4'-P-C4' energy: -136.422 flat angles P-C4'-P energy: -84.047 tors. eta vs tors. theta energy: -89.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1324.207523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.207523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.207523 (E_RNA) where: Base-Base interactions energy: -839.667 where: short stacking energy: -395.157 Base-Backbone interact. energy: 3.929 local terms energy: -488.469265 where: bonds (distance) C4'-P energy: -119.532 bonds (distance) P-C4' energy: -131.806 flat angles C4'-P-C4' energy: -129.014 flat angles P-C4'-P energy: -62.329 tors. eta vs tors. theta energy: -45.788 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: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2906.532872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.532872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.532872 (E_RNA) where: Base-Base interactions energy: -2027.835 where: short stacking energy: -879.213 Base-Backbone interact. energy: -3.624 local terms energy: -875.073847 where: bonds (distance) C4'-P energy: -148.527 bonds (distance) P-C4' energy: -171.497 flat angles C4'-P-C4' energy: -190.836 flat angles P-C4'-P energy: -137.305 tors. eta vs tors. theta energy: -226.909 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: 81 Temperature: 0.950000 Total energy: -2733.992598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.992598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.992598 (E_RNA) where: Base-Base interactions energy: -1937.405 where: short stacking energy: -788.531 Base-Backbone interact. energy: 0.384 local terms energy: -796.970779 where: bonds (distance) C4'-P energy: -167.824 bonds (distance) P-C4' energy: -148.004 flat angles C4'-P-C4' energy: -160.288 flat angles P-C4'-P energy: -116.123 tors. eta vs tors. theta energy: -204.732 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: 81 Temperature: 1.000000 Total energy: -2630.614404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.614404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.614404 (E_RNA) where: Base-Base interactions energy: -1835.765 where: short stacking energy: -764.221 Base-Backbone interact. energy: -2.632 local terms energy: -792.217110 where: bonds (distance) C4'-P energy: -143.226 bonds (distance) P-C4' energy: -133.086 flat angles C4'-P-C4' energy: -187.200 flat angles P-C4'-P energy: -117.938 tors. eta vs tors. theta energy: -210.767 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: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2499.038184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.038184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.038184 (E_RNA) where: Base-Base interactions energy: -1723.920 where: short stacking energy: -792.929 Base-Backbone interact. energy: -0.990 local terms energy: -774.128284 where: bonds (distance) C4'-P energy: -144.280 bonds (distance) P-C4' energy: -138.281 flat angles C4'-P-C4' energy: -164.685 flat angles P-C4'-P energy: -109.595 tors. eta vs tors. theta energy: -217.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2404.544249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.544249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.544249 (E_RNA) where: Base-Base interactions energy: -1669.212 where: short stacking energy: -709.601 Base-Backbone interact. energy: -2.236 local terms energy: -733.096125 where: bonds (distance) C4'-P energy: -137.868 bonds (distance) P-C4' energy: -155.447 flat angles C4'-P-C4' energy: -159.705 flat angles P-C4'-P energy: -107.012 tors. eta vs tors. theta energy: -173.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2244.686544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.686544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.686544 (E_RNA) where: Base-Base interactions energy: -1542.250 where: short stacking energy: -665.206 Base-Backbone interact. energy: -3.342 local terms energy: -699.094584 where: bonds (distance) C4'-P energy: -128.590 bonds (distance) P-C4' energy: -156.488 flat angles C4'-P-C4' energy: -155.733 flat angles P-C4'-P energy: -95.305 tors. eta vs tors. theta energy: -162.979 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: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -2086.047332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.047332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.047332 (E_RNA) where: Base-Base interactions energy: -1418.255 where: short stacking energy: -588.531 Base-Backbone interact. energy: -0.032 local terms energy: -667.760111 where: bonds (distance) C4'-P energy: -139.964 bonds (distance) P-C4' energy: -134.509 flat angles C4'-P-C4' energy: -157.870 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: -141.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1868.321602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.321602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.321602 (E_RNA) where: Base-Base interactions energy: -1259.633 where: short stacking energy: -560.917 Base-Backbone interact. energy: 1.446 local terms energy: -610.134718 where: bonds (distance) C4'-P energy: -124.543 bonds (distance) P-C4' energy: -130.121 flat angles C4'-P-C4' energy: -142.537 flat angles P-C4'-P energy: -91.371 tors. eta vs tors. theta energy: -121.562 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: 3 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1623.201592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.201592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.201592 (E_RNA) where: Base-Base interactions energy: -1089.616 where: short stacking energy: -454.170 Base-Backbone interact. energy: 2.192 local terms energy: -535.777356 where: bonds (distance) C4'-P energy: -115.066 bonds (distance) P-C4' energy: -117.484 flat angles C4'-P-C4' energy: -146.797 flat angles P-C4'-P energy: -77.644 tors. eta vs tors. theta energy: -78.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1325.793753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.793753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.793753 (E_RNA) where: Base-Base interactions energy: -847.335 where: short stacking energy: -389.398 Base-Backbone interact. energy: -3.762 local terms energy: -474.696068 where: bonds (distance) C4'-P energy: -113.998 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -105.058 flat angles P-C4'-P energy: -72.129 tors. eta vs tors. theta energy: -50.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2911.899356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.899356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.899356 (E_RNA) where: Base-Base interactions energy: -2039.717 where: short stacking energy: -901.608 Base-Backbone interact. energy: -2.175 local terms energy: -870.007199 where: bonds (distance) C4'-P energy: -158.950 bonds (distance) P-C4' energy: -158.252 flat angles C4'-P-C4' energy: -180.584 flat angles P-C4'-P energy: -128.524 tors. eta vs tors. theta energy: -243.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2767.899561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.899561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.899561 (E_RNA) where: Base-Base interactions energy: -1952.190 where: short stacking energy: -816.337 Base-Backbone interact. energy: -2.228 local terms energy: -813.481946 where: bonds (distance) C4'-P energy: -152.461 bonds (distance) P-C4' energy: -156.906 flat angles C4'-P-C4' energy: -169.042 flat angles P-C4'-P energy: -124.322 tors. eta vs tors. theta energy: -210.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2681.156269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.156269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.156269 (E_RNA) where: Base-Base interactions energy: -1876.579 where: short stacking energy: -818.272 Base-Backbone interact. energy: -5.952 local terms energy: -798.625512 where: bonds (distance) C4'-P energy: -145.251 bonds (distance) P-C4' energy: -141.785 flat angles C4'-P-C4' energy: -172.905 flat angles P-C4'-P energy: -111.025 tors. eta vs tors. theta energy: -227.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2533.578322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.578322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.578322 (E_RNA) where: Base-Base interactions energy: -1777.018 where: short stacking energy: -798.933 Base-Backbone interact. energy: -2.136 local terms energy: -754.424081 where: bonds (distance) C4'-P energy: -135.096 bonds (distance) P-C4' energy: -126.877 flat angles C4'-P-C4' energy: -174.525 flat angles P-C4'-P energy: -113.986 tors. eta vs tors. theta energy: -203.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2354.148528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.148528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.148528 (E_RNA) where: Base-Base interactions energy: -1635.249 where: short stacking energy: -717.558 Base-Backbone interact. energy: 3.781 local terms energy: -722.680431 where: bonds (distance) C4'-P energy: -137.689 bonds (distance) P-C4' energy: -139.528 flat angles C4'-P-C4' energy: -166.080 flat angles P-C4'-P energy: -114.544 tors. eta vs tors. theta energy: -164.840 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: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2155.351090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.351090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.351090 (E_RNA) where: Base-Base interactions energy: -1438.821 where: short stacking energy: -646.937 Base-Backbone interact. energy: -3.955 local terms energy: -712.574762 where: bonds (distance) C4'-P energy: -139.051 bonds (distance) P-C4' energy: -154.714 flat angles C4'-P-C4' energy: -157.573 flat angles P-C4'-P energy: -89.028 tors. eta vs tors. theta energy: -172.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -2147.310415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.310415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.310415 (E_RNA) where: Base-Base interactions energy: -1520.789 where: short stacking energy: -662.495 Base-Backbone interact. energy: -1.972 local terms energy: -624.548543 where: bonds (distance) C4'-P energy: -115.978 bonds (distance) P-C4' energy: -129.422 flat angles C4'-P-C4' energy: -114.978 flat angles P-C4'-P energy: -102.716 tors. eta vs tors. theta energy: -161.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1802.051017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.051017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.051017 (E_RNA) where: Base-Base interactions energy: -1189.989 where: short stacking energy: -520.172 Base-Backbone interact. energy: -4.944 local terms energy: -607.118112 where: bonds (distance) C4'-P energy: -136.840 bonds (distance) P-C4' energy: -118.321 flat angles C4'-P-C4' energy: -145.847 flat angles P-C4'-P energy: -94.685 tors. eta vs tors. theta energy: -111.425 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: 3 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1681.559657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.559657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.559657 (E_RNA) where: Base-Base interactions energy: -1100.751 where: short stacking energy: -527.030 Base-Backbone interact. energy: 0.470 local terms energy: -581.278157 where: bonds (distance) C4'-P energy: -113.827 bonds (distance) P-C4' energy: -146.355 flat angles C4'-P-C4' energy: -142.854 flat angles P-C4'-P energy: -72.028 tors. eta vs tors. theta energy: -106.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1380.914561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.914561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.914561 (E_RNA) where: Base-Base interactions energy: -870.871 where: short stacking energy: -398.771 Base-Backbone interact. energy: 6.151 local terms energy: -516.193682 where: bonds (distance) C4'-P energy: -110.718 bonds (distance) P-C4' energy: -136.015 flat angles C4'-P-C4' energy: -120.312 flat angles P-C4'-P energy: -84.094 tors. eta vs tors. theta energy: -65.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2890.526603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.526603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.526603 (E_RNA) where: Base-Base interactions energy: -2041.689 where: short stacking energy: -900.172 Base-Backbone interact. energy: -4.513 local terms energy: -844.325402 where: bonds (distance) C4'-P energy: -149.970 bonds (distance) P-C4' energy: -146.360 flat angles C4'-P-C4' energy: -176.137 flat angles P-C4'-P energy: -135.072 tors. eta vs tors. theta energy: -236.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2750.253143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.253143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.253143 (E_RNA) where: Base-Base interactions energy: -1917.770 where: short stacking energy: -797.222 Base-Backbone interact. energy: -2.589 local terms energy: -829.894427 where: bonds (distance) C4'-P energy: -159.944 bonds (distance) P-C4' energy: -163.502 flat angles C4'-P-C4' energy: -177.621 flat angles P-C4'-P energy: -117.829 tors. eta vs tors. theta energy: -210.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2635.220173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.220173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.220173 (E_RNA) where: Base-Base interactions energy: -1838.940 where: short stacking energy: -812.728 Base-Backbone interact. energy: -6.309 local terms energy: -789.971203 where: bonds (distance) C4'-P energy: -141.902 bonds (distance) P-C4' energy: -149.750 flat angles C4'-P-C4' energy: -167.469 flat angles P-C4'-P energy: -114.416 tors. eta vs tors. theta energy: -216.435 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: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2555.039076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.039076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.039076 (E_RNA) where: Base-Base interactions energy: -1753.323 where: short stacking energy: -786.915 Base-Backbone interact. energy: -7.909 local terms energy: -793.806679 where: bonds (distance) C4'-P energy: -147.110 bonds (distance) P-C4' energy: -153.911 flat angles C4'-P-C4' energy: -176.023 flat angles P-C4'-P energy: -116.422 tors. eta vs tors. theta energy: -200.341 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: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2347.850640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.850640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.850640 (E_RNA) where: Base-Base interactions energy: -1641.860 where: short stacking energy: -691.735 Base-Backbone interact. energy: 1.584 local terms energy: -707.574651 where: bonds (distance) C4'-P energy: -150.850 bonds (distance) P-C4' energy: -140.053 flat angles C4'-P-C4' energy: -161.388 flat angles P-C4'-P energy: -97.331 tors. eta vs tors. theta energy: -157.952 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: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2238.466625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.466625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.466625 (E_RNA) where: Base-Base interactions energy: -1559.313 where: short stacking energy: -681.537 Base-Backbone interact. energy: 0.716 local terms energy: -679.869745 where: bonds (distance) C4'-P energy: -140.841 bonds (distance) P-C4' energy: -126.557 flat angles C4'-P-C4' energy: -163.480 flat angles P-C4'-P energy: -89.233 tors. eta vs tors. theta energy: -159.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -2052.605360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.605360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.605360 (E_RNA) where: Base-Base interactions energy: -1454.004 where: short stacking energy: -613.932 Base-Backbone interact. energy: -1.323 local terms energy: -597.278690 where: bonds (distance) C4'-P energy: -140.657 bonds (distance) P-C4' energy: -123.867 flat angles C4'-P-C4' energy: -140.281 flat angles P-C4'-P energy: -58.045 tors. eta vs tors. theta energy: -134.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1815.074444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.074444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.074444 (E_RNA) where: Base-Base interactions energy: -1236.447 where: short stacking energy: -539.682 Base-Backbone interact. energy: -0.815 local terms energy: -577.812338 where: bonds (distance) C4'-P energy: -106.479 bonds (distance) P-C4' energy: -139.067 flat angles C4'-P-C4' energy: -122.985 flat angles P-C4'-P energy: -88.901 tors. eta vs tors. theta energy: -120.381 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: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1644.230134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.230134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.230134 (E_RNA) where: Base-Base interactions energy: -1112.783 where: short stacking energy: -507.341 Base-Backbone interact. energy: 2.279 local terms energy: -533.725501 where: bonds (distance) C4'-P energy: -111.482 bonds (distance) P-C4' energy: -124.410 flat angles C4'-P-C4' energy: -133.774 flat angles P-C4'-P energy: -60.214 tors. eta vs tors. theta energy: -103.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1259.062515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.062515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.062515 (E_RNA) where: Base-Base interactions energy: -808.778 where: short stacking energy: -381.473 Base-Backbone interact. energy: -1.236 local terms energy: -449.048387 where: bonds (distance) C4'-P energy: -102.962 bonds (distance) P-C4' energy: -126.666 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -54.956 tors. eta vs tors. theta energy: -43.175 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: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2884.329472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.329472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.329472 (E_RNA) where: Base-Base interactions energy: -2027.431 where: short stacking energy: -890.378 Base-Backbone interact. energy: -2.785 local terms energy: -854.113218 where: bonds (distance) C4'-P energy: -161.783 bonds (distance) P-C4' energy: -154.986 flat angles C4'-P-C4' energy: -179.202 flat angles P-C4'-P energy: -121.578 tors. eta vs tors. theta energy: -236.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2732.384354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.384354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.384354 (E_RNA) where: Base-Base interactions energy: -1939.322 where: short stacking energy: -806.410 Base-Backbone interact. energy: -5.343 local terms energy: -787.719666 where: bonds (distance) C4'-P energy: -145.085 bonds (distance) P-C4' energy: -150.639 flat angles C4'-P-C4' energy: -170.420 flat angles P-C4'-P energy: -110.685 tors. eta vs tors. theta energy: -210.890 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: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2635.875894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.875894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.875894 (E_RNA) where: Base-Base interactions energy: -1812.352 where: short stacking energy: -795.506 Base-Backbone interact. energy: -3.964 local terms energy: -819.560195 where: bonds (distance) C4'-P energy: -139.326 bonds (distance) P-C4' energy: -177.184 flat angles C4'-P-C4' energy: -176.150 flat angles P-C4'-P energy: -115.475 tors. eta vs tors. theta energy: -211.425 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: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2547.233921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.233921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.233921 (E_RNA) where: Base-Base interactions energy: -1753.566 where: short stacking energy: -774.210 Base-Backbone interact. energy: -1.676 local terms energy: -791.992327 where: bonds (distance) C4'-P energy: -126.241 bonds (distance) P-C4' energy: -160.533 flat angles C4'-P-C4' energy: -178.633 flat angles P-C4'-P energy: -120.819 tors. eta vs tors. theta energy: -205.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2360.501879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.501879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.501879 (E_RNA) where: Base-Base interactions energy: -1660.798 where: short stacking energy: -706.978 Base-Backbone interact. energy: -3.722 local terms energy: -695.982240 where: bonds (distance) C4'-P energy: -138.474 bonds (distance) P-C4' energy: -134.742 flat angles C4'-P-C4' energy: -156.171 flat angles P-C4'-P energy: -100.451 tors. eta vs tors. theta energy: -166.144 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: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2200.025528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.025528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.025528 (E_RNA) where: Base-Base interactions energy: -1521.391 where: short stacking energy: -659.230 Base-Backbone interact. energy: 1.508 local terms energy: -680.142140 where: bonds (distance) C4'-P energy: -126.641 bonds (distance) P-C4' energy: -138.609 flat angles C4'-P-C4' energy: -143.024 flat angles P-C4'-P energy: -98.254 tors. eta vs tors. theta energy: -173.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -2040.078412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.078412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.078412 (E_RNA) where: Base-Base interactions energy: -1414.286 where: short stacking energy: -617.213 Base-Backbone interact. energy: -1.269 local terms energy: -624.523031 where: bonds (distance) C4'-P energy: -106.314 bonds (distance) P-C4' energy: -148.099 flat angles C4'-P-C4' energy: -158.403 flat angles P-C4'-P energy: -83.460 tors. eta vs tors. theta energy: -128.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1921.054727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.054727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.054727 (E_RNA) where: Base-Base interactions energy: -1302.019 where: short stacking energy: -585.384 Base-Backbone interact. energy: -1.999 local terms energy: -617.035981 where: bonds (distance) C4'-P energy: -124.766 bonds (distance) P-C4' energy: -132.315 flat angles C4'-P-C4' energy: -146.470 flat angles P-C4'-P energy: -92.094 tors. eta vs tors. theta energy: -121.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1693.383922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.383922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.383922 (E_RNA) where: Base-Base interactions energy: -1159.999 where: short stacking energy: -497.945 Base-Backbone interact. energy: -0.188 local terms energy: -533.197616 where: bonds (distance) C4'-P energy: -98.409 bonds (distance) P-C4' energy: -125.385 flat angles C4'-P-C4' energy: -132.373 flat angles P-C4'-P energy: -79.154 tors. eta vs tors. theta energy: -97.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1303.910081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.910081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.910081 (E_RNA) where: Base-Base interactions energy: -800.633 where: short stacking energy: -386.661 Base-Backbone interact. energy: 4.609 local terms energy: -507.886241 where: bonds (distance) C4'-P energy: -117.948 bonds (distance) P-C4' energy: -134.121 flat angles C4'-P-C4' energy: -138.205 flat angles P-C4'-P energy: -60.528 tors. eta vs tors. theta energy: -57.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2870.375871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.375871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.375871 (E_RNA) where: Base-Base interactions energy: -2010.018 where: short stacking energy: -876.380 Base-Backbone interact. energy: -4.561 local terms energy: -855.797145 where: bonds (distance) C4'-P energy: -165.656 bonds (distance) P-C4' energy: -145.893 flat angles C4'-P-C4' energy: -179.981 flat angles P-C4'-P energy: -132.276 tors. eta vs tors. theta energy: -231.992 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: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2773.007120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.007120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.007120 (E_RNA) where: Base-Base interactions energy: -1965.663 where: short stacking energy: -843.454 Base-Backbone interact. energy: 0.094 local terms energy: -807.437436 where: bonds (distance) C4'-P energy: -153.632 bonds (distance) P-C4' energy: -146.112 flat angles C4'-P-C4' energy: -173.837 flat angles P-C4'-P energy: -121.258 tors. eta vs tors. theta energy: -212.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2631.090511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.090511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.090511 (E_RNA) where: Base-Base interactions energy: -1846.595 where: short stacking energy: -770.647 Base-Backbone interact. energy: -3.694 local terms energy: -780.801000 where: bonds (distance) C4'-P energy: -148.012 bonds (distance) P-C4' energy: -152.976 flat angles C4'-P-C4' energy: -160.193 flat angles P-C4'-P energy: -107.082 tors. eta vs tors. theta energy: -212.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2547.451332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.451332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.451332 (E_RNA) where: Base-Base interactions energy: -1780.800 where: short stacking energy: -777.052 Base-Backbone interact. energy: -3.157 local terms energy: -763.494553 where: bonds (distance) C4'-P energy: -142.157 bonds (distance) P-C4' energy: -161.446 flat angles C4'-P-C4' energy: -161.800 flat angles P-C4'-P energy: -101.918 tors. eta vs tors. theta energy: -196.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2413.349180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.349180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.349180 (E_RNA) where: Base-Base interactions energy: -1683.040 where: short stacking energy: -733.808 Base-Backbone interact. energy: 5.544 local terms energy: -735.853272 where: bonds (distance) C4'-P energy: -147.404 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -164.740 flat angles P-C4'-P energy: -107.562 tors. eta vs tors. theta energy: -177.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2263.050506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.050506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.050506 (E_RNA) where: Base-Base interactions energy: -1564.297 where: short stacking energy: -660.262 Base-Backbone interact. energy: -0.981 local terms energy: -697.771996 where: bonds (distance) C4'-P energy: -162.818 bonds (distance) P-C4' energy: -143.789 flat angles C4'-P-C4' energy: -138.079 flat angles P-C4'-P energy: -99.688 tors. eta vs tors. theta energy: -153.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -2020.783878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.783878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.783878 (E_RNA) where: Base-Base interactions energy: -1402.256 where: short stacking energy: -636.105 Base-Backbone interact. energy: -3.424 local terms energy: -615.104040 where: bonds (distance) C4'-P energy: -103.891 bonds (distance) P-C4' energy: -125.067 flat angles C4'-P-C4' energy: -152.056 flat angles P-C4'-P energy: -69.702 tors. eta vs tors. theta energy: -164.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1866.124961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.124961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.124961 (E_RNA) where: Base-Base interactions energy: -1304.479 where: short stacking energy: -545.364 Base-Backbone interact. energy: -1.534 local terms energy: -560.112822 where: bonds (distance) C4'-P energy: -126.804 bonds (distance) P-C4' energy: -122.689 flat angles C4'-P-C4' energy: -113.135 flat angles P-C4'-P energy: -88.772 tors. eta vs tors. theta energy: -108.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1678.703233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.703233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.703233 (E_RNA) where: Base-Base interactions energy: -1109.543 where: short stacking energy: -505.645 Base-Backbone interact. energy: 0.483 local terms energy: -569.643580 where: bonds (distance) C4'-P energy: -126.915 bonds (distance) P-C4' energy: -127.761 flat angles C4'-P-C4' energy: -133.155 flat angles P-C4'-P energy: -76.524 tors. eta vs tors. theta energy: -105.289 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: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1356.789365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.789365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.789365 (E_RNA) where: Base-Base interactions energy: -869.732 where: short stacking energy: -421.154 Base-Backbone interact. energy: 2.436 local terms energy: -489.493175 where: bonds (distance) C4'-P energy: -132.191 bonds (distance) P-C4' energy: -142.079 flat angles C4'-P-C4' energy: -99.403 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: -57.196 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: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2889.690550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.690550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.690550 (E_RNA) where: Base-Base interactions energy: -2017.203 where: short stacking energy: -871.944 Base-Backbone interact. energy: -3.061 local terms energy: -869.426910 where: bonds (distance) C4'-P energy: -141.037 bonds (distance) P-C4' energy: -167.751 flat angles C4'-P-C4' energy: -191.332 flat angles P-C4'-P energy: -136.337 tors. eta vs tors. theta energy: -232.970 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: 86 Temperature: 0.950000 Total energy: -2777.035478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.035478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.035478 (E_RNA) where: Base-Base interactions energy: -1981.656 where: short stacking energy: -806.239 Base-Backbone interact. energy: -2.480 local terms energy: -792.898771 where: bonds (distance) C4'-P energy: -159.736 bonds (distance) P-C4' energy: -148.210 flat angles C4'-P-C4' energy: -181.359 flat angles P-C4'-P energy: -112.964 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: 3, replica: 1 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2635.936403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.936403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.936403 (E_RNA) where: Base-Base interactions energy: -1829.323 where: short stacking energy: -836.261 Base-Backbone interact. energy: -5.020 local terms energy: -801.593358 where: bonds (distance) C4'-P energy: -152.589 bonds (distance) P-C4' energy: -155.169 flat angles C4'-P-C4' energy: -178.435 flat angles P-C4'-P energy: -102.774 tors. eta vs tors. theta energy: -212.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2584.750949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.750949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.750949 (E_RNA) where: Base-Base interactions energy: -1830.834 where: short stacking energy: -822.348 Base-Backbone interact. energy: -1.163 local terms energy: -752.754327 where: bonds (distance) C4'-P energy: -140.054 bonds (distance) P-C4' energy: -135.431 flat angles C4'-P-C4' energy: -153.857 flat angles P-C4'-P energy: -113.639 tors. eta vs tors. theta energy: -209.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2436.992154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.992154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.992154 (E_RNA) where: Base-Base interactions energy: -1716.788 where: short stacking energy: -761.208 Base-Backbone interact. energy: -2.031 local terms energy: -718.172865 where: bonds (distance) C4'-P energy: -124.908 bonds (distance) P-C4' energy: -134.407 flat angles C4'-P-C4' energy: -167.966 flat angles P-C4'-P energy: -112.222 tors. eta vs tors. theta energy: -178.671 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: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2269.084060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.084060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.084060 (E_RNA) where: Base-Base interactions energy: -1581.387 where: short stacking energy: -661.056 Base-Backbone interact. energy: -5.893 local terms energy: -681.804452 where: bonds (distance) C4'-P energy: -138.518 bonds (distance) P-C4' energy: -141.411 flat angles C4'-P-C4' energy: -168.339 flat angles P-C4'-P energy: -76.924 tors. eta vs tors. theta energy: -156.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -2049.346590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.346590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.346590 (E_RNA) where: Base-Base interactions energy: -1402.238 where: short stacking energy: -649.549 Base-Backbone interact. energy: -2.500 local terms energy: -644.608761 where: bonds (distance) C4'-P energy: -129.656 bonds (distance) P-C4' energy: -132.693 flat angles C4'-P-C4' energy: -150.957 flat angles P-C4'-P energy: -75.560 tors. eta vs tors. theta energy: -155.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1838.123246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.123246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.123246 (E_RNA) where: Base-Base interactions energy: -1242.443 where: short stacking energy: -549.920 Base-Backbone interact. energy: -3.204 local terms energy: -592.475358 where: bonds (distance) C4'-P energy: -125.842 bonds (distance) P-C4' energy: -135.468 flat angles C4'-P-C4' energy: -140.765 flat angles P-C4'-P energy: -80.490 tors. eta vs tors. theta energy: -109.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1755.903069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.903069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.903069 (E_RNA) where: Base-Base interactions energy: -1197.175 where: short stacking energy: -524.776 Base-Backbone interact. energy: 3.343 local terms energy: -562.071083 where: bonds (distance) C4'-P energy: -123.637 bonds (distance) P-C4' energy: -146.053 flat angles C4'-P-C4' energy: -128.114 flat angles P-C4'-P energy: -58.993 tors. eta vs tors. theta energy: -105.275 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: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1271.399105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.399105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.399105 (E_RNA) where: Base-Base interactions energy: -796.618 where: short stacking energy: -383.191 Base-Backbone interact. energy: -0.655 local terms energy: -474.126812 where: bonds (distance) C4'-P energy: -132.540 bonds (distance) P-C4' energy: -116.275 flat angles C4'-P-C4' energy: -141.162 flat angles P-C4'-P energy: -51.105 tors. eta vs tors. theta energy: -33.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2867.865704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.865704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.865704 (E_RNA) where: Base-Base interactions energy: -2006.285 where: short stacking energy: -891.718 Base-Backbone interact. energy: -1.459 local terms energy: -860.121859 where: bonds (distance) C4'-P energy: -150.754 bonds (distance) P-C4' energy: -159.563 flat angles C4'-P-C4' energy: -189.311 flat angles P-C4'-P energy: -134.717 tors. eta vs tors. theta energy: -225.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2796.273495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.273495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.273495 (E_RNA) where: Base-Base interactions energy: -1973.475 where: short stacking energy: -808.687 Base-Backbone interact. energy: -5.925 local terms energy: -816.874296 where: bonds (distance) C4'-P energy: -163.291 bonds (distance) P-C4' energy: -169.922 flat angles C4'-P-C4' energy: -169.657 flat angles P-C4'-P energy: -111.270 tors. eta vs tors. theta energy: -202.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2624.539307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.539307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.539307 (E_RNA) where: Base-Base interactions energy: -1813.222 where: short stacking energy: -802.098 Base-Backbone interact. energy: -0.433 local terms energy: -810.883894 where: bonds (distance) C4'-P energy: -149.734 bonds (distance) P-C4' energy: -160.702 flat angles C4'-P-C4' energy: -179.658 flat angles P-C4'-P energy: -113.295 tors. eta vs tors. theta energy: -207.496 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: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2514.494324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.494324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.494324 (E_RNA) where: Base-Base interactions energy: -1728.042 where: short stacking energy: -746.137 Base-Backbone interact. energy: -1.648 local terms energy: -784.804334 where: bonds (distance) C4'-P energy: -149.185 bonds (distance) P-C4' energy: -163.379 flat angles C4'-P-C4' energy: -161.677 flat angles P-C4'-P energy: -108.695 tors. eta vs tors. theta energy: -201.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2364.748042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.748042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.748042 (E_RNA) where: Base-Base interactions energy: -1649.510 where: short stacking energy: -696.663 Base-Backbone interact. energy: 3.421 local terms energy: -718.659115 where: bonds (distance) C4'-P energy: -119.377 bonds (distance) P-C4' energy: -160.687 flat angles C4'-P-C4' energy: -162.012 flat angles P-C4'-P energy: -97.757 tors. eta vs tors. theta energy: -178.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2356.476396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.476396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.476396 (E_RNA) where: Base-Base interactions energy: -1672.885 where: short stacking energy: -699.976 Base-Backbone interact. energy: -3.055 local terms energy: -680.536340 where: bonds (distance) C4'-P energy: -133.851 bonds (distance) P-C4' energy: -132.941 flat angles C4'-P-C4' energy: -152.054 flat angles P-C4'-P energy: -87.777 tors. eta vs tors. theta energy: -173.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -2093.563562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.563562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.563562 (E_RNA) where: Base-Base interactions energy: -1463.310 where: short stacking energy: -659.731 Base-Backbone interact. energy: -4.254 local terms energy: -625.999689 where: bonds (distance) C4'-P energy: -115.862 bonds (distance) P-C4' energy: -123.216 flat angles C4'-P-C4' energy: -166.574 flat angles P-C4'-P energy: -78.326 tors. eta vs tors. theta energy: -142.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1816.765049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.765049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.765049 (E_RNA) where: Base-Base interactions energy: -1233.801 where: short stacking energy: -543.869 Base-Backbone interact. energy: 8.642 local terms energy: -591.606471 where: bonds (distance) C4'-P energy: -145.644 bonds (distance) P-C4' energy: -124.444 flat angles C4'-P-C4' energy: -135.287 flat angles P-C4'-P energy: -70.536 tors. eta vs tors. theta energy: -115.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1775.065740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.065740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.065740 (E_RNA) where: Base-Base interactions energy: -1177.778 where: short stacking energy: -543.526 Base-Backbone interact. energy: -1.237 local terms energy: -596.051188 where: bonds (distance) C4'-P energy: -125.185 bonds (distance) P-C4' energy: -128.225 flat angles C4'-P-C4' energy: -138.639 flat angles P-C4'-P energy: -87.796 tors. eta vs tors. theta energy: -116.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1322.091526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.091526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.091526 (E_RNA) where: Base-Base interactions energy: -864.195 where: short stacking energy: -401.494 Base-Backbone interact. energy: 7.373 local terms energy: -465.269398 where: bonds (distance) C4'-P energy: -120.162 bonds (distance) P-C4' energy: -105.889 flat angles C4'-P-C4' energy: -128.195 flat angles P-C4'-P energy: -48.882 tors. eta vs tors. theta energy: -62.142 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: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2868.442265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.442265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.442265 (E_RNA) where: Base-Base interactions energy: -1999.101 where: short stacking energy: -877.864 Base-Backbone interact. energy: -3.202 local terms energy: -866.138954 where: bonds (distance) C4'-P energy: -151.810 bonds (distance) P-C4' energy: -161.094 flat angles C4'-P-C4' energy: -192.918 flat angles P-C4'-P energy: -135.356 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: 2, replica: 2 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2802.694020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.694020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.694020 (E_RNA) where: Base-Base interactions energy: -2005.209 where: short stacking energy: -796.676 Base-Backbone interact. energy: -8.000 local terms energy: -789.485891 where: bonds (distance) C4'-P energy: -142.854 bonds (distance) P-C4' energy: -169.491 flat angles C4'-P-C4' energy: -162.451 flat angles P-C4'-P energy: -107.633 tors. eta vs tors. theta energy: -207.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2622.114330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.114330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.114330 (E_RNA) where: Base-Base interactions energy: -1792.944 where: short stacking energy: -793.622 Base-Backbone interact. energy: -0.458 local terms energy: -828.711900 where: bonds (distance) C4'-P energy: -146.951 bonds (distance) P-C4' energy: -161.066 flat angles C4'-P-C4' energy: -174.992 flat angles P-C4'-P energy: -133.234 tors. eta vs tors. theta energy: -212.469 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: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2507.806767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.806767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.806767 (E_RNA) where: Base-Base interactions energy: -1715.809 where: short stacking energy: -720.568 Base-Backbone interact. energy: -2.317 local terms energy: -789.681106 where: bonds (distance) C4'-P energy: -143.926 bonds (distance) P-C4' energy: -150.036 flat angles C4'-P-C4' energy: -174.370 flat angles P-C4'-P energy: -114.230 tors. eta vs tors. theta energy: -207.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2430.573686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.573686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.573686 (E_RNA) where: Base-Base interactions energy: -1710.224 where: short stacking energy: -750.486 Base-Backbone interact. energy: 0.791 local terms energy: -721.141231 where: bonds (distance) C4'-P energy: -145.725 bonds (distance) P-C4' energy: -137.087 flat angles C4'-P-C4' energy: -153.776 flat angles P-C4'-P energy: -96.839 tors. eta vs tors. theta energy: -187.714 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: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2322.903545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.903545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.903545 (E_RNA) where: Base-Base interactions energy: -1629.192 where: short stacking energy: -705.602 Base-Backbone interact. energy: -2.086 local terms energy: -691.626454 where: bonds (distance) C4'-P energy: -140.731 bonds (distance) P-C4' energy: -129.106 flat angles C4'-P-C4' energy: -153.216 flat angles P-C4'-P energy: -86.285 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: 7, replica: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -2001.734348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.734348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.734348 (E_RNA) where: Base-Base interactions energy: -1360.863 where: short stacking energy: -622.426 Base-Backbone interact. energy: -4.762 local terms energy: -636.109445 where: bonds (distance) C4'-P energy: -128.540 bonds (distance) P-C4' energy: -135.465 flat angles C4'-P-C4' energy: -131.178 flat angles P-C4'-P energy: -103.824 tors. eta vs tors. theta energy: -137.102 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: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1838.975246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.975246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.975246 (E_RNA) where: Base-Base interactions energy: -1239.496 where: short stacking energy: -534.764 Base-Backbone interact. energy: 2.656 local terms energy: -602.134566 where: bonds (distance) C4'-P energy: -123.332 bonds (distance) P-C4' energy: -141.343 flat angles C4'-P-C4' energy: -149.098 flat angles P-C4'-P energy: -76.155 tors. eta vs tors. theta energy: -112.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1828.493228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.493228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.493228 (E_RNA) where: Base-Base interactions energy: -1249.102 where: short stacking energy: -575.910 Base-Backbone interact. energy: 0.901 local terms energy: -580.292187 where: bonds (distance) C4'-P energy: -117.729 bonds (distance) P-C4' energy: -121.687 flat angles C4'-P-C4' energy: -127.082 flat angles P-C4'-P energy: -74.257 tors. eta vs tors. theta energy: -139.536 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: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1284.654276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.654276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.654276 (E_RNA) where: Base-Base interactions energy: -817.718 where: short stacking energy: -411.300 Base-Backbone interact. energy: 0.036 local terms energy: -466.972758 where: bonds (distance) C4'-P energy: -112.967 bonds (distance) P-C4' energy: -124.316 flat angles C4'-P-C4' energy: -134.812 flat angles P-C4'-P energy: -53.965 tors. eta vs tors. theta energy: -40.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2865.423079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.423079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.423079 (E_RNA) where: Base-Base interactions energy: -2043.972 where: short stacking energy: -877.360 Base-Backbone interact. energy: -0.458 local terms energy: -820.992798 where: bonds (distance) C4'-P energy: -149.315 bonds (distance) P-C4' energy: -155.898 flat angles C4'-P-C4' energy: -179.288 flat angles P-C4'-P energy: -112.335 tors. eta vs tors. theta energy: -224.156 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: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2797.105195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.105195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.105195 (E_RNA) where: Base-Base interactions energy: -1995.215 where: short stacking energy: -806.302 Base-Backbone interact. energy: -6.366 local terms energy: -795.523678 where: bonds (distance) C4'-P energy: -159.200 bonds (distance) P-C4' energy: -156.260 flat angles C4'-P-C4' energy: -173.465 flat angles P-C4'-P energy: -111.216 tors. eta vs tors. theta energy: -195.383 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: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2670.603256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.603256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.603256 (E_RNA) where: Base-Base interactions energy: -1834.204 where: short stacking energy: -824.788 Base-Backbone interact. energy: 2.191 local terms energy: -838.589594 where: bonds (distance) C4'-P energy: -144.864 bonds (distance) P-C4' energy: -168.325 flat angles C4'-P-C4' energy: -191.384 flat angles P-C4'-P energy: -110.476 tors. eta vs tors. theta energy: -223.541 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: 8 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2529.504122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.504122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.504122 (E_RNA) where: Base-Base interactions energy: -1768.736 where: short stacking energy: -757.830 Base-Backbone interact. energy: -4.231 local terms energy: -756.537021 where: bonds (distance) C4'-P energy: -147.763 bonds (distance) P-C4' energy: -143.119 flat angles C4'-P-C4' energy: -172.438 flat angles P-C4'-P energy: -100.193 tors. eta vs tors. theta energy: -193.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2419.335188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.335188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.335188 (E_RNA) where: Base-Base interactions energy: -1699.355 where: short stacking energy: -732.683 Base-Backbone interact. energy: -0.594 local terms energy: -719.385885 where: bonds (distance) C4'-P energy: -149.045 bonds (distance) P-C4' energy: -157.286 flat angles C4'-P-C4' energy: -159.229 flat angles P-C4'-P energy: -92.556 tors. eta vs tors. theta energy: -161.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2306.677388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.677388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.677388 (E_RNA) where: Base-Base interactions energy: -1616.229 where: short stacking energy: -670.105 Base-Backbone interact. energy: -1.945 local terms energy: -688.503021 where: bonds (distance) C4'-P energy: -133.749 bonds (distance) P-C4' energy: -127.884 flat angles C4'-P-C4' energy: -158.671 flat angles P-C4'-P energy: -98.183 tors. eta vs tors. theta energy: -170.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -2026.830177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.830177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.830177 (E_RNA) where: Base-Base interactions energy: -1413.855 where: short stacking energy: -623.363 Base-Backbone interact. energy: 1.366 local terms energy: -614.341264 where: bonds (distance) C4'-P energy: -117.418 bonds (distance) P-C4' energy: -121.686 flat angles C4'-P-C4' energy: -155.950 flat angles P-C4'-P energy: -80.274 tors. eta vs tors. theta energy: -139.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1882.170638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.170638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.170638 (E_RNA) where: Base-Base interactions energy: -1270.386 where: short stacking energy: -545.759 Base-Backbone interact. energy: -0.654 local terms energy: -611.130963 where: bonds (distance) C4'-P energy: -114.038 bonds (distance) P-C4' energy: -148.599 flat angles C4'-P-C4' energy: -131.536 flat angles P-C4'-P energy: -86.029 tors. eta vs tors. theta energy: -130.930 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: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1834.113038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.113038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.113038 (E_RNA) where: Base-Base interactions energy: -1251.391 where: short stacking energy: -557.966 Base-Backbone interact. energy: -1.358 local terms energy: -581.364152 where: bonds (distance) C4'-P energy: -113.344 bonds (distance) P-C4' energy: -129.473 flat angles C4'-P-C4' energy: -144.158 flat angles P-C4'-P energy: -86.183 tors. eta vs tors. theta energy: -108.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1223.798747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.798747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.798747 (E_RNA) where: Base-Base interactions energy: -748.302 where: short stacking energy: -335.867 Base-Backbone interact. energy: -0.327 local terms energy: -475.169143 where: bonds (distance) C4'-P energy: -125.497 bonds (distance) P-C4' energy: -117.626 flat angles C4'-P-C4' energy: -114.208 flat angles P-C4'-P energy: -73.042 tors. eta vs tors. theta energy: -44.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2886.213230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.213230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.213230 (E_RNA) where: Base-Base interactions energy: -2045.099 where: short stacking energy: -888.019 Base-Backbone interact. energy: -3.356 local terms energy: -837.758503 where: bonds (distance) C4'-P energy: -138.907 bonds (distance) P-C4' energy: -161.183 flat angles C4'-P-C4' energy: -189.430 flat angles P-C4'-P energy: -114.521 tors. eta vs tors. theta energy: -233.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2781.286019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.286019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.286019 (E_RNA) where: Base-Base interactions energy: -1981.810 where: short stacking energy: -814.685 Base-Backbone interact. energy: -2.746 local terms energy: -796.729988 where: bonds (distance) C4'-P energy: -155.248 bonds (distance) P-C4' energy: -146.486 flat angles C4'-P-C4' energy: -173.159 flat angles P-C4'-P energy: -119.928 tors. eta vs tors. theta energy: -201.908 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: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2693.357572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.357572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.357572 (E_RNA) where: Base-Base interactions energy: -1882.969 where: short stacking energy: -820.969 Base-Backbone interact. energy: -2.355 local terms energy: -808.033623 where: bonds (distance) C4'-P energy: -158.854 bonds (distance) P-C4' energy: -154.055 flat angles C4'-P-C4' energy: -165.294 flat angles P-C4'-P energy: -108.665 tors. eta vs tors. theta energy: -221.166 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: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2519.611437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.611437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.611437 (E_RNA) where: Base-Base interactions energy: -1776.183 where: short stacking energy: -783.512 Base-Backbone interact. energy: -5.782 local terms energy: -737.646254 where: bonds (distance) C4'-P energy: -151.016 bonds (distance) P-C4' energy: -149.774 flat angles C4'-P-C4' energy: -155.290 flat angles P-C4'-P energy: -93.340 tors. eta vs tors. theta energy: -188.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2400.431378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.431378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.431378 (E_RNA) where: Base-Base interactions energy: -1664.868 where: short stacking energy: -700.149 Base-Backbone interact. energy: -3.596 local terms energy: -731.968267 where: bonds (distance) C4'-P energy: -147.488 bonds (distance) P-C4' energy: -153.341 flat angles C4'-P-C4' energy: -162.354 flat angles P-C4'-P energy: -107.144 tors. eta vs tors. theta energy: -161.640 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: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2316.223516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.223516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.223516 (E_RNA) where: Base-Base interactions energy: -1605.747 where: short stacking energy: -677.458 Base-Backbone interact. energy: 1.376 local terms energy: -711.851881 where: bonds (distance) C4'-P energy: -137.522 bonds (distance) P-C4' energy: -147.597 flat angles C4'-P-C4' energy: -162.149 flat angles P-C4'-P energy: -96.672 tors. eta vs tors. theta energy: -167.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1958.303057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.303057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.303057 (E_RNA) where: Base-Base interactions energy: -1344.004 where: short stacking energy: -577.636 Base-Backbone interact. energy: -2.319 local terms energy: -611.980228 where: bonds (distance) C4'-P energy: -127.340 bonds (distance) P-C4' energy: -135.001 flat angles C4'-P-C4' energy: -145.042 flat angles P-C4'-P energy: -97.652 tors. eta vs tors. theta energy: -106.946 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: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1876.533691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.533691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.533691 (E_RNA) where: Base-Base interactions energy: -1301.784 where: short stacking energy: -574.861 Base-Backbone interact. energy: 3.786 local terms energy: -578.535772 where: bonds (distance) C4'-P energy: -108.834 bonds (distance) P-C4' energy: -127.705 flat angles C4'-P-C4' energy: -136.397 flat angles P-C4'-P energy: -92.014 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: 9, replica: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1754.507604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.507604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.507604 (E_RNA) where: Base-Base interactions energy: -1179.493 where: short stacking energy: -556.688 Base-Backbone interact. energy: 6.128 local terms energy: -581.142697 where: bonds (distance) C4'-P energy: -131.307 bonds (distance) P-C4' energy: -151.526 flat angles C4'-P-C4' energy: -111.784 flat angles P-C4'-P energy: -84.801 tors. eta vs tors. theta energy: -101.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1300.930088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.930088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.930088 (E_RNA) where: Base-Base interactions energy: -802.292 where: short stacking energy: -403.571 Base-Backbone interact. energy: 5.293 local terms energy: -503.930238 where: bonds (distance) C4'-P energy: -130.965 bonds (distance) P-C4' energy: -127.919 flat angles C4'-P-C4' energy: -132.059 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: -57.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2860.251343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.251343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.251343 (E_RNA) where: Base-Base interactions energy: -1994.428 where: short stacking energy: -868.295 Base-Backbone interact. energy: -1.215 local terms energy: -864.609188 where: bonds (distance) C4'-P energy: -158.391 bonds (distance) P-C4' energy: -172.023 flat angles C4'-P-C4' energy: -191.995 flat angles P-C4'-P energy: -114.783 tors. eta vs tors. theta energy: -227.417 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: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2771.407820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.407820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.407820 (E_RNA) where: Base-Base interactions energy: -1953.951 where: short stacking energy: -829.354 Base-Backbone interact. energy: -7.224 local terms energy: -810.232009 where: bonds (distance) C4'-P energy: -157.305 bonds (distance) P-C4' energy: -157.280 flat angles C4'-P-C4' energy: -167.643 flat angles P-C4'-P energy: -113.313 tors. eta vs tors. theta energy: -214.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2667.705598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.705598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.705598 (E_RNA) where: Base-Base interactions energy: -1863.179 where: short stacking energy: -840.529 Base-Backbone interact. energy: -0.386 local terms energy: -804.140903 where: bonds (distance) C4'-P energy: -127.349 bonds (distance) P-C4' energy: -174.573 flat angles C4'-P-C4' energy: -182.350 flat angles P-C4'-P energy: -101.697 tors. eta vs tors. theta energy: -218.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2529.315286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.315286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.315286 (E_RNA) where: Base-Base interactions energy: -1766.793 where: short stacking energy: -766.290 Base-Backbone interact. energy: -2.431 local terms energy: -760.091171 where: bonds (distance) C4'-P energy: -144.614 bonds (distance) P-C4' energy: -145.368 flat angles C4'-P-C4' energy: -170.541 flat angles P-C4'-P energy: -93.208 tors. eta vs tors. theta energy: -206.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2399.177137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.177137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.177137 (E_RNA) where: Base-Base interactions energy: -1672.017 where: short stacking energy: -725.568 Base-Backbone interact. energy: -0.758 local terms energy: -726.401615 where: bonds (distance) C4'-P energy: -117.250 bonds (distance) P-C4' energy: -150.479 flat angles C4'-P-C4' energy: -158.041 flat angles P-C4'-P energy: -106.914 tors. eta vs tors. theta energy: -193.716 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: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2295.768550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.768550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.768550 (E_RNA) where: Base-Base interactions energy: -1645.580 where: short stacking energy: -695.561 Base-Backbone interact. energy: -2.172 local terms energy: -648.016545 where: bonds (distance) C4'-P energy: -111.900 bonds (distance) P-C4' energy: -113.553 flat angles C4'-P-C4' energy: -152.982 flat angles P-C4'-P energy: -91.615 tors. eta vs tors. theta energy: -177.966 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: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1998.642982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.642982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.642982 (E_RNA) where: Base-Base interactions energy: -1377.970 where: short stacking energy: -612.216 Base-Backbone interact. energy: 1.858 local terms energy: -622.531169 where: bonds (distance) C4'-P energy: -113.864 bonds (distance) P-C4' energy: -143.748 flat angles C4'-P-C4' energy: -144.360 flat angles P-C4'-P energy: -87.560 tors. eta vs tors. theta energy: -133.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1886.262629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.262629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.262629 (E_RNA) where: Base-Base interactions energy: -1244.086 where: short stacking energy: -562.406 Base-Backbone interact. energy: -2.431 local terms energy: -639.745927 where: bonds (distance) C4'-P energy: -133.341 bonds (distance) P-C4' energy: -146.848 flat angles C4'-P-C4' energy: -142.482 flat angles P-C4'-P energy: -97.181 tors. eta vs tors. theta energy: -119.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1808.696335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.696335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.696335 (E_RNA) where: Base-Base interactions energy: -1209.770 where: short stacking energy: -570.164 Base-Backbone interact. energy: 6.050 local terms energy: -604.975886 where: bonds (distance) C4'-P energy: -116.108 bonds (distance) P-C4' energy: -124.828 flat angles C4'-P-C4' energy: -144.427 flat angles P-C4'-P energy: -91.892 tors. eta vs tors. theta energy: -127.721 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: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1431.373852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.373852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.373852 (E_RNA) where: Base-Base interactions energy: -943.976 where: short stacking energy: -442.962 Base-Backbone interact. energy: -0.094 local terms energy: -487.304565 where: bonds (distance) C4'-P energy: -111.986 bonds (distance) P-C4' energy: -121.385 flat angles C4'-P-C4' energy: -128.179 flat angles P-C4'-P energy: -58.981 tors. eta vs tors. theta energy: -66.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2890.305069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.305069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.305069 (E_RNA) where: Base-Base interactions energy: -2029.459 where: short stacking energy: -870.228 Base-Backbone interact. energy: -2.348 local terms energy: -858.498098 where: bonds (distance) C4'-P energy: -179.790 bonds (distance) P-C4' energy: -171.276 flat angles C4'-P-C4' energy: -179.596 flat angles P-C4'-P energy: -108.894 tors. eta vs tors. theta energy: -218.941 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: 92 Temperature: 0.950000 Total energy: -2784.839772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.839772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.839772 (E_RNA) where: Base-Base interactions energy: -1987.956 where: short stacking energy: -812.160 Base-Backbone interact. energy: -4.522 local terms energy: -792.361657 where: bonds (distance) C4'-P energy: -136.809 bonds (distance) P-C4' energy: -160.854 flat angles C4'-P-C4' energy: -179.068 flat angles P-C4'-P energy: -102.641 tors. eta vs tors. theta energy: -212.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2652.713068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.713068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.713068 (E_RNA) where: Base-Base interactions energy: -1832.460 where: short stacking energy: -830.952 Base-Backbone interact. energy: -2.834 local terms energy: -817.419110 where: bonds (distance) C4'-P energy: -155.527 bonds (distance) P-C4' energy: -152.930 flat angles C4'-P-C4' energy: -173.254 flat angles P-C4'-P energy: -121.418 tors. eta vs tors. theta energy: -214.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2532.013472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.013472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.013472 (E_RNA) where: Base-Base interactions energy: -1767.238 where: short stacking energy: -761.139 Base-Backbone interact. energy: -4.174 local terms energy: -760.601643 where: bonds (distance) C4'-P energy: -146.507 bonds (distance) P-C4' energy: -145.542 flat angles C4'-P-C4' energy: -180.825 flat angles P-C4'-P energy: -97.468 tors. eta vs tors. theta energy: -190.259 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: 4 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2351.775309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.775309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.775309 (E_RNA) where: Base-Base interactions energy: -1631.803 where: short stacking energy: -708.003 Base-Backbone interact. energy: 0.440 local terms energy: -720.412375 where: bonds (distance) C4'-P energy: -136.560 bonds (distance) P-C4' energy: -141.850 flat angles C4'-P-C4' energy: -166.546 flat angles P-C4'-P energy: -97.539 tors. eta vs tors. theta energy: -177.917 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: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2287.329870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.329870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.329870 (E_RNA) where: Base-Base interactions energy: -1609.259 where: short stacking energy: -669.946 Base-Backbone interact. energy: -0.543 local terms energy: -677.527567 where: bonds (distance) C4'-P energy: -122.273 bonds (distance) P-C4' energy: -138.297 flat angles C4'-P-C4' energy: -163.494 flat angles P-C4'-P energy: -86.328 tors. eta vs tors. theta energy: -167.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -2065.922287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.922287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.922287 (E_RNA) where: Base-Base interactions energy: -1437.336 where: short stacking energy: -631.075 Base-Backbone interact. energy: 4.741 local terms energy: -633.327890 where: bonds (distance) C4'-P energy: -123.543 bonds (distance) P-C4' energy: -138.138 flat angles C4'-P-C4' energy: -141.835 flat angles P-C4'-P energy: -93.807 tors. eta vs tors. theta energy: -136.006 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: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1848.504577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.504577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.504577 (E_RNA) where: Base-Base interactions energy: -1275.313 where: short stacking energy: -572.628 Base-Backbone interact. energy: -0.547 local terms energy: -572.645115 where: bonds (distance) C4'-P energy: -107.327 bonds (distance) P-C4' energy: -127.424 flat angles C4'-P-C4' energy: -134.543 flat angles P-C4'-P energy: -71.035 tors. eta vs tors. theta energy: -132.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1747.582949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.582949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.582949 (E_RNA) where: Base-Base interactions energy: -1158.013 where: short stacking energy: -528.087 Base-Backbone interact. energy: 0.696 local terms energy: -590.265576 where: bonds (distance) C4'-P energy: -133.589 bonds (distance) P-C4' energy: -115.447 flat angles C4'-P-C4' energy: -136.291 flat angles P-C4'-P energy: -85.170 tors. eta vs tors. theta energy: -119.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1464.910048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.910048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.910048 (E_RNA) where: Base-Base interactions energy: -926.985 where: short stacking energy: -444.865 Base-Backbone interact. energy: 5.102 local terms energy: -543.027580 where: bonds (distance) C4'-P energy: -131.219 bonds (distance) P-C4' energy: -122.242 flat angles C4'-P-C4' energy: -131.751 flat angles P-C4'-P energy: -87.708 tors. eta vs tors. theta energy: -70.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2899.790988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.790988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.790988 (E_RNA) where: Base-Base interactions energy: -2041.332 where: short stacking energy: -879.127 Base-Backbone interact. energy: -2.113 local terms energy: -856.345995 where: bonds (distance) C4'-P energy: -163.442 bonds (distance) P-C4' energy: -161.907 flat angles C4'-P-C4' energy: -178.421 flat angles P-C4'-P energy: -125.970 tors. eta vs tors. theta energy: -226.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2798.364741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.364741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.364741 (E_RNA) where: Base-Base interactions energy: -1980.736 where: short stacking energy: -813.224 Base-Backbone interact. energy: -2.490 local terms energy: -815.139004 where: bonds (distance) C4'-P energy: -156.884 bonds (distance) P-C4' energy: -154.271 flat angles C4'-P-C4' energy: -170.018 flat angles P-C4'-P energy: -125.394 tors. eta vs tors. theta energy: -208.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2695.652825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.652825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.652825 (E_RNA) where: Base-Base interactions energy: -1895.515 where: short stacking energy: -835.596 Base-Backbone interact. energy: -1.553 local terms energy: -798.584745 where: bonds (distance) C4'-P energy: -125.219 bonds (distance) P-C4' energy: -153.010 flat angles C4'-P-C4' energy: -182.760 flat angles P-C4'-P energy: -117.202 tors. eta vs tors. theta energy: -220.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2571.863112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.863112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.863112 (E_RNA) where: Base-Base interactions energy: -1818.718 where: short stacking energy: -780.926 Base-Backbone interact. energy: -1.778 local terms energy: -751.366902 where: bonds (distance) C4'-P energy: -125.865 bonds (distance) P-C4' energy: -151.476 flat angles C4'-P-C4' energy: -172.357 flat angles P-C4'-P energy: -106.182 tors. eta vs tors. theta energy: -195.487 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: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2420.256698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.256698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.256698 (E_RNA) where: Base-Base interactions energy: -1656.817 where: short stacking energy: -728.682 Base-Backbone interact. energy: -3.977 local terms energy: -759.462231 where: bonds (distance) C4'-P energy: -131.459 bonds (distance) P-C4' energy: -164.253 flat angles C4'-P-C4' energy: -179.874 flat angles P-C4'-P energy: -100.784 tors. eta vs tors. theta energy: -183.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2303.646522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.646522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.646522 (E_RNA) where: Base-Base interactions energy: -1612.850 where: short stacking energy: -691.575 Base-Backbone interact. energy: -2.642 local terms energy: -688.154133 where: bonds (distance) C4'-P energy: -133.458 bonds (distance) P-C4' energy: -137.253 flat angles C4'-P-C4' energy: -138.633 flat angles P-C4'-P energy: -96.698 tors. eta vs tors. theta energy: -182.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2124.797590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.797590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.797590 (E_RNA) where: Base-Base interactions energy: -1469.914 where: short stacking energy: -632.619 Base-Backbone interact. energy: -2.491 local terms energy: -652.392475 where: bonds (distance) C4'-P energy: -137.043 bonds (distance) P-C4' energy: -141.111 flat angles C4'-P-C4' energy: -139.776 flat angles P-C4'-P energy: -84.653 tors. eta vs tors. theta energy: -149.809 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: 3 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1853.830868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.830868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.830868 (E_RNA) where: Base-Base interactions energy: -1244.321 where: short stacking energy: -608.618 Base-Backbone interact. energy: 5.165 local terms energy: -614.674839 where: bonds (distance) C4'-P energy: -121.972 bonds (distance) P-C4' energy: -131.689 flat angles C4'-P-C4' energy: -139.496 flat angles P-C4'-P energy: -75.312 tors. eta vs tors. theta energy: -146.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1775.776281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.776281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.776281 (E_RNA) where: Base-Base interactions energy: -1192.214 where: short stacking energy: -532.803 Base-Backbone interact. energy: -1.639 local terms energy: -581.923859 where: bonds (distance) C4'-P energy: -122.065 bonds (distance) P-C4' energy: -129.229 flat angles C4'-P-C4' energy: -134.314 flat angles P-C4'-P energy: -84.584 tors. eta vs tors. theta energy: -111.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1465.466508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.466508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.466508 (E_RNA) where: Base-Base interactions energy: -924.917 where: short stacking energy: -411.440 Base-Backbone interact. energy: -2.533 local terms energy: -538.016672 where: bonds (distance) C4'-P energy: -122.799 bonds (distance) P-C4' energy: -147.406 flat angles C4'-P-C4' energy: -119.650 flat angles P-C4'-P energy: -81.249 tors. eta vs tors. theta energy: -66.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2929.146743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.146743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.146743 (E_RNA) where: Base-Base interactions energy: -2066.990 where: short stacking energy: -903.295 Base-Backbone interact. energy: -3.923 local terms energy: -858.233187 where: bonds (distance) C4'-P energy: -152.328 bonds (distance) P-C4' energy: -172.209 flat angles C4'-P-C4' energy: -186.917 flat angles P-C4'-P energy: -126.530 tors. eta vs tors. theta energy: -220.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2813.814504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.814504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.814504 (E_RNA) where: Base-Base interactions energy: -2010.637 where: short stacking energy: -840.392 Base-Backbone interact. energy: -3.721 local terms energy: -799.456937 where: bonds (distance) C4'-P energy: -143.289 bonds (distance) P-C4' energy: -156.668 flat angles C4'-P-C4' energy: -173.331 flat angles P-C4'-P energy: -120.160 tors. eta vs tors. theta energy: -206.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2690.561586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.561586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.561586 (E_RNA) where: Base-Base interactions energy: -1884.701 where: short stacking energy: -810.198 Base-Backbone interact. energy: -1.601 local terms energy: -804.260281 where: bonds (distance) C4'-P energy: -151.163 bonds (distance) P-C4' energy: -147.445 flat angles C4'-P-C4' energy: -169.760 flat angles P-C4'-P energy: -119.919 tors. eta vs tors. theta energy: -215.973 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: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2543.520150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.520150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.520150 (E_RNA) where: Base-Base interactions energy: -1790.690 where: short stacking energy: -752.246 Base-Backbone interact. energy: -2.907 local terms energy: -749.922884 where: bonds (distance) C4'-P energy: -153.598 bonds (distance) P-C4' energy: -145.748 flat angles C4'-P-C4' energy: -159.482 flat angles P-C4'-P energy: -100.822 tors. eta vs tors. theta energy: -190.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2398.379217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.379217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.379217 (E_RNA) where: Base-Base interactions energy: -1677.341 where: short stacking energy: -737.670 Base-Backbone interact. energy: -2.623 local terms energy: -718.415901 where: bonds (distance) C4'-P energy: -124.314 bonds (distance) P-C4' energy: -148.125 flat angles C4'-P-C4' energy: -160.568 flat angles P-C4'-P energy: -107.090 tors. eta vs tors. theta energy: -178.320 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: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2281.142814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.142814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.142814 (E_RNA) where: Base-Base interactions energy: -1580.173 where: short stacking energy: -649.698 Base-Backbone interact. energy: -3.976 local terms energy: -696.993706 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -140.932 flat angles C4'-P-C4' energy: -137.616 flat angles P-C4'-P energy: -112.619 tors. eta vs tors. theta energy: -170.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -2077.211485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.211485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.211485 (E_RNA) where: Base-Base interactions energy: -1427.391 where: short stacking energy: -635.583 Base-Backbone interact. energy: 0.499 local terms energy: -650.318722 where: bonds (distance) C4'-P energy: -149.553 bonds (distance) P-C4' energy: -138.522 flat angles C4'-P-C4' energy: -136.024 flat angles P-C4'-P energy: -82.690 tors. eta vs tors. theta energy: -143.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1872.961245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.961245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.961245 (E_RNA) where: Base-Base interactions energy: -1268.013 where: short stacking energy: -576.511 Base-Backbone interact. energy: 0.043 local terms energy: -604.991268 where: bonds (distance) C4'-P energy: -132.632 bonds (distance) P-C4' energy: -134.130 flat angles C4'-P-C4' energy: -136.367 flat angles P-C4'-P energy: -76.848 tors. eta vs tors. theta energy: -125.013 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: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1657.278703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.278703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.278703 (E_RNA) where: Base-Base interactions energy: -1084.415 where: short stacking energy: -505.983 Base-Backbone interact. energy: -1.637 local terms energy: -571.226383 where: bonds (distance) C4'-P energy: -134.848 bonds (distance) P-C4' energy: -139.419 flat angles C4'-P-C4' energy: -130.047 flat angles P-C4'-P energy: -64.239 tors. eta vs tors. theta energy: -102.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1291.772374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.772374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.772374 (E_RNA) where: Base-Base interactions energy: -806.178 where: short stacking energy: -348.160 Base-Backbone interact. energy: -4.438 local terms energy: -481.157097 where: bonds (distance) C4'-P energy: -106.281 bonds (distance) P-C4' energy: -130.915 flat angles C4'-P-C4' energy: -139.151 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -41.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2896.648169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.648169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.648169 (E_RNA) where: Base-Base interactions energy: -2028.120 where: short stacking energy: -878.773 Base-Backbone interact. energy: -2.040 local terms energy: -866.488402 where: bonds (distance) C4'-P energy: -158.195 bonds (distance) P-C4' energy: -162.984 flat angles C4'-P-C4' energy: -185.924 flat angles P-C4'-P energy: -126.731 tors. eta vs tors. theta energy: -232.654 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: -2788.551790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.551790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.551790 (E_RNA) where: Base-Base interactions energy: -1977.596 where: short stacking energy: -791.432 Base-Backbone interact. energy: -4.337 local terms energy: -806.618657 where: bonds (distance) C4'-P energy: -143.692 bonds (distance) P-C4' energy: -159.062 flat angles C4'-P-C4' energy: -182.975 flat angles P-C4'-P energy: -115.067 tors. eta vs tors. theta energy: -205.823 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: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2682.742143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.742143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.742143 (E_RNA) where: Base-Base interactions energy: -1881.224 where: short stacking energy: -832.486 Base-Backbone interact. energy: -2.107 local terms energy: -799.411083 where: bonds (distance) C4'-P energy: -140.914 bonds (distance) P-C4' energy: -155.634 flat angles C4'-P-C4' energy: -182.636 flat angles P-C4'-P energy: -115.057 tors. eta vs tors. theta energy: -205.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2605.729017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.729017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.729017 (E_RNA) where: Base-Base interactions energy: -1837.800 where: short stacking energy: -767.873 Base-Backbone interact. energy: -2.054 local terms energy: -765.874976 where: bonds (distance) C4'-P energy: -147.541 bonds (distance) P-C4' energy: -145.469 flat angles C4'-P-C4' energy: -177.343 flat angles P-C4'-P energy: -104.354 tors. eta vs tors. theta energy: -191.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2369.639974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.639974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.639974 (E_RNA) where: Base-Base interactions energy: -1626.789 where: short stacking energy: -714.099 Base-Backbone interact. energy: -1.631 local terms energy: -741.219230 where: bonds (distance) C4'-P energy: -139.118 bonds (distance) P-C4' energy: -151.955 flat angles C4'-P-C4' energy: -174.971 flat angles P-C4'-P energy: -91.777 tors. eta vs tors. theta energy: -183.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2325.763100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.763100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.763100 (E_RNA) where: Base-Base interactions energy: -1610.054 where: short stacking energy: -695.365 Base-Backbone interact. energy: -1.768 local terms energy: -713.940932 where: bonds (distance) C4'-P energy: -148.083 bonds (distance) P-C4' energy: -139.769 flat angles C4'-P-C4' energy: -150.190 flat angles P-C4'-P energy: -104.725 tors. eta vs tors. theta energy: -171.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -2102.079975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.079975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.079975 (E_RNA) where: Base-Base interactions energy: -1451.235 where: short stacking energy: -637.132 Base-Backbone interact. energy: 5.178 local terms energy: -656.022774 where: bonds (distance) C4'-P energy: -129.574 bonds (distance) P-C4' energy: -147.899 flat angles C4'-P-C4' energy: -141.817 flat angles P-C4'-P energy: -100.686 tors. eta vs tors. theta energy: -136.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1795.551956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.551956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.551956 (E_RNA) where: Base-Base interactions energy: -1224.367 where: short stacking energy: -522.013 Base-Backbone interact. energy: -4.880 local terms energy: -566.304858 where: bonds (distance) C4'-P energy: -130.256 bonds (distance) P-C4' energy: -129.060 flat angles C4'-P-C4' energy: -132.376 flat angles P-C4'-P energy: -81.774 tors. eta vs tors. theta energy: -92.839 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: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1640.024858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.024858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.024858 (E_RNA) where: Base-Base interactions energy: -1092.331 where: short stacking energy: -487.335 Base-Backbone interact. energy: 0.458 local terms energy: -548.151713 where: bonds (distance) C4'-P energy: -100.774 bonds (distance) P-C4' energy: -154.810 flat angles C4'-P-C4' energy: -116.317 flat angles P-C4'-P energy: -79.699 tors. eta vs tors. theta energy: -96.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1233.379638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.379638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.379638 (E_RNA) where: Base-Base interactions energy: -793.288 where: short stacking energy: -360.067 Base-Backbone interact. energy: 7.218 local terms energy: -447.309514 where: bonds (distance) C4'-P energy: -117.679 bonds (distance) P-C4' energy: -119.204 flat angles C4'-P-C4' energy: -130.002 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -38.985 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: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2869.957630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.957630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.957630 (E_RNA) where: Base-Base interactions energy: -1993.769 where: short stacking energy: -888.221 Base-Backbone interact. energy: -4.704 local terms energy: -871.484258 where: bonds (distance) C4'-P energy: -144.979 bonds (distance) P-C4' energy: -169.517 flat angles C4'-P-C4' energy: -178.745 flat angles P-C4'-P energy: -147.165 tors. eta vs tors. theta energy: -231.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2779.980682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.980682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.980682 (E_RNA) where: Base-Base interactions energy: -1968.935 where: short stacking energy: -818.722 Base-Backbone interact. energy: -3.375 local terms energy: -807.670139 where: bonds (distance) C4'-P energy: -161.136 bonds (distance) P-C4' energy: -151.371 flat angles C4'-P-C4' energy: -168.751 flat angles P-C4'-P energy: -119.013 tors. eta vs tors. theta energy: -207.399 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: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2679.223839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.223839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.223839 (E_RNA) where: Base-Base interactions energy: -1891.182 where: short stacking energy: -811.013 Base-Backbone interact. energy: -1.439 local terms energy: -786.602856 where: bonds (distance) C4'-P energy: -122.014 bonds (distance) P-C4' energy: -158.930 flat angles C4'-P-C4' energy: -178.472 flat angles P-C4'-P energy: -114.182 tors. eta vs tors. theta energy: -213.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2558.225346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.225346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.225346 (E_RNA) where: Base-Base interactions energy: -1781.060 where: short stacking energy: -755.405 Base-Backbone interact. energy: -3.094 local terms energy: -774.072150 where: bonds (distance) C4'-P energy: -153.569 bonds (distance) P-C4' energy: -164.638 flat angles C4'-P-C4' energy: -160.477 flat angles P-C4'-P energy: -97.035 tors. eta vs tors. theta energy: -198.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2422.308567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.308567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.308567 (E_RNA) where: Base-Base interactions energy: -1726.945 where: short stacking energy: -715.187 Base-Backbone interact. energy: -2.363 local terms energy: -693.000731 where: bonds (distance) C4'-P energy: -122.930 bonds (distance) P-C4' energy: -137.232 flat angles C4'-P-C4' energy: -157.569 flat angles P-C4'-P energy: -90.833 tors. eta vs tors. theta energy: -184.437 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: 10 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2289.846382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.846382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.846382 (E_RNA) where: Base-Base interactions energy: -1593.882 where: short stacking energy: -681.976 Base-Backbone interact. energy: 0.583 local terms energy: -696.547427 where: bonds (distance) C4'-P energy: -144.938 bonds (distance) P-C4' energy: -129.211 flat angles C4'-P-C4' energy: -158.544 flat angles P-C4'-P energy: -99.714 tors. eta vs tors. theta energy: -164.142 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: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -2118.499389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.499389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.499389 (E_RNA) where: Base-Base interactions energy: -1483.740 where: short stacking energy: -649.822 Base-Backbone interact. energy: -4.276 local terms energy: -630.483879 where: bonds (distance) C4'-P energy: -119.856 bonds (distance) P-C4' energy: -137.141 flat angles C4'-P-C4' energy: -151.671 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -140.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1791.347203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.347203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.347203 (E_RNA) where: Base-Base interactions energy: -1201.905 where: short stacking energy: -545.964 Base-Backbone interact. energy: -5.001 local terms energy: -584.441057 where: bonds (distance) C4'-P energy: -133.035 bonds (distance) P-C4' energy: -118.707 flat angles C4'-P-C4' energy: -132.387 flat angles P-C4'-P energy: -85.500 tors. eta vs tors. theta energy: -114.811 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: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1579.447256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.447256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.447256 (E_RNA) where: Base-Base interactions energy: -1010.892 where: short stacking energy: -449.777 Base-Backbone interact. energy: 0.166 local terms energy: -568.721465 where: bonds (distance) C4'-P energy: -123.018 bonds (distance) P-C4' energy: -135.547 flat angles C4'-P-C4' energy: -135.342 flat angles P-C4'-P energy: -81.711 tors. eta vs tors. theta energy: -93.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1228.549865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.549865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.549865 (E_RNA) where: Base-Base interactions energy: -781.252 where: short stacking energy: -380.509 Base-Backbone interact. energy: -3.881 local terms energy: -443.416367 where: bonds (distance) C4'-P energy: -106.195 bonds (distance) P-C4' energy: -120.207 flat angles C4'-P-C4' energy: -119.785 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -49.403 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: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2893.165622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.165622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.165622 (E_RNA) where: Base-Base interactions energy: -2032.526 where: short stacking energy: -864.068 Base-Backbone interact. energy: -8.352 local terms energy: -852.288331 where: bonds (distance) C4'-P energy: -158.061 bonds (distance) P-C4' energy: -166.375 flat angles C4'-P-C4' energy: -183.067 flat angles P-C4'-P energy: -122.038 tors. eta vs tors. theta energy: -222.748 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: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2798.719380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.719380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.719380 (E_RNA) where: Base-Base interactions energy: -1972.888 where: short stacking energy: -789.316 Base-Backbone interact. energy: -3.402 local terms energy: -822.429494 where: bonds (distance) C4'-P energy: -156.505 bonds (distance) P-C4' energy: -157.254 flat angles C4'-P-C4' energy: -181.813 flat angles P-C4'-P energy: -122.882 tors. eta vs tors. theta energy: -203.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2663.628530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.628530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.628530 (E_RNA) where: Base-Base interactions energy: -1863.224 where: short stacking energy: -807.545 Base-Backbone interact. energy: -2.846 local terms energy: -797.559108 where: bonds (distance) C4'-P energy: -142.898 bonds (distance) P-C4' energy: -162.105 flat angles C4'-P-C4' energy: -173.924 flat angles P-C4'-P energy: -115.310 tors. eta vs tors. theta energy: -203.322 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: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2585.516929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.516929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.516929 (E_RNA) where: Base-Base interactions energy: -1811.151 where: short stacking energy: -767.313 Base-Backbone interact. energy: -6.210 local terms energy: -768.156074 where: bonds (distance) C4'-P energy: -153.543 bonds (distance) P-C4' energy: -140.221 flat angles C4'-P-C4' energy: -168.964 flat angles P-C4'-P energy: -98.374 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: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2442.124682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.124682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.124682 (E_RNA) where: Base-Base interactions energy: -1723.138 where: short stacking energy: -749.987 Base-Backbone interact. energy: -4.060 local terms energy: -714.926013 where: bonds (distance) C4'-P energy: -133.872 bonds (distance) P-C4' energy: -142.299 flat angles C4'-P-C4' energy: -150.361 flat angles P-C4'-P energy: -102.331 tors. eta vs tors. theta energy: -186.062 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: 10 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2273.108741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.108741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.108741 (E_RNA) where: Base-Base interactions energy: -1580.212 where: short stacking energy: -677.501 Base-Backbone interact. energy: -1.226 local terms energy: -691.669983 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -138.612 flat angles C4'-P-C4' energy: -158.752 flat angles P-C4'-P energy: -102.436 tors. eta vs tors. theta energy: -162.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2078.563154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.563154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.563154 (E_RNA) where: Base-Base interactions energy: -1429.609 where: short stacking energy: -619.409 Base-Backbone interact. energy: -4.247 local terms energy: -644.707125 where: bonds (distance) C4'-P energy: -138.833 bonds (distance) P-C4' energy: -132.880 flat angles C4'-P-C4' energy: -136.934 flat angles P-C4'-P energy: -104.076 tors. eta vs tors. theta energy: -131.984 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: 3 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1818.465372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.465372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.465372 (E_RNA) where: Base-Base interactions energy: -1207.645 where: short stacking energy: -572.099 Base-Backbone interact. energy: 0.683 local terms energy: -611.503052 where: bonds (distance) C4'-P energy: -113.582 bonds (distance) P-C4' energy: -142.471 flat angles C4'-P-C4' energy: -147.309 flat angles P-C4'-P energy: -81.494 tors. eta vs tors. theta energy: -126.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1682.134047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.134047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.134047 (E_RNA) where: Base-Base interactions energy: -1132.203 where: short stacking energy: -495.688 Base-Backbone interact. energy: -5.044 local terms energy: -544.886769 where: bonds (distance) C4'-P energy: -113.493 bonds (distance) P-C4' energy: -132.261 flat angles C4'-P-C4' energy: -125.418 flat angles P-C4'-P energy: -74.626 tors. eta vs tors. theta energy: -99.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1294.421961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.421961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.421961 (E_RNA) where: Base-Base interactions energy: -807.077 where: short stacking energy: -406.498 Base-Backbone interact. energy: -2.253 local terms energy: -485.092033 where: bonds (distance) C4'-P energy: -142.247 bonds (distance) P-C4' energy: -112.408 flat angles C4'-P-C4' energy: -116.557 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -42.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2860.422320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.422320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.422320 (E_RNA) where: Base-Base interactions energy: -2028.962 where: short stacking energy: -838.984 Base-Backbone interact. energy: -0.830 local terms energy: -830.630902 where: bonds (distance) C4'-P energy: -146.314 bonds (distance) P-C4' energy: -171.051 flat angles C4'-P-C4' energy: -178.378 flat angles P-C4'-P energy: -118.014 tors. eta vs tors. theta energy: -216.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2812.353014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.353014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.353014 (E_RNA) where: Base-Base interactions energy: -1993.055 where: short stacking energy: -860.246 Base-Backbone interact. energy: -3.063 local terms energy: -816.234883 where: bonds (distance) C4'-P energy: -155.760 bonds (distance) P-C4' energy: -147.307 flat angles C4'-P-C4' energy: -177.693 flat angles P-C4'-P energy: -115.428 tors. eta vs tors. theta energy: -220.046 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: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2679.649415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.649415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.649415 (E_RNA) where: Base-Base interactions energy: -1872.346 where: short stacking energy: -821.237 Base-Backbone interact. energy: -0.998 local terms energy: -806.305650 where: bonds (distance) C4'-P energy: -140.198 bonds (distance) P-C4' energy: -158.757 flat angles C4'-P-C4' energy: -176.695 flat angles P-C4'-P energy: -122.169 tors. eta vs tors. theta energy: -208.487 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: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2537.272336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.272336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.272336 (E_RNA) where: Base-Base interactions energy: -1780.399 where: short stacking energy: -746.269 Base-Backbone interact. energy: -4.152 local terms energy: -752.721551 where: bonds (distance) C4'-P energy: -133.934 bonds (distance) P-C4' energy: -150.422 flat angles C4'-P-C4' energy: -164.488 flat angles P-C4'-P energy: -111.340 tors. eta vs tors. theta energy: -192.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2394.971314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.971314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.971314 (E_RNA) where: Base-Base interactions energy: -1670.019 where: short stacking energy: -703.390 Base-Backbone interact. energy: -2.049 local terms energy: -722.903372 where: bonds (distance) C4'-P energy: -146.078 bonds (distance) P-C4' energy: -147.373 flat angles C4'-P-C4' energy: -162.190 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -170.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2289.797404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.797404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.797404 (E_RNA) where: Base-Base interactions energy: -1581.931 where: short stacking energy: -699.893 Base-Backbone interact. energy: 1.751 local terms energy: -709.617260 where: bonds (distance) C4'-P energy: -147.915 bonds (distance) P-C4' energy: -136.797 flat angles C4'-P-C4' energy: -152.268 flat angles P-C4'-P energy: -92.232 tors. eta vs tors. theta energy: -180.405 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: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -2097.152950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.152950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.152950 (E_RNA) where: Base-Base interactions energy: -1447.586 where: short stacking energy: -623.221 Base-Backbone interact. energy: -4.369 local terms energy: -645.197680 where: bonds (distance) C4'-P energy: -126.599 bonds (distance) P-C4' energy: -118.735 flat angles C4'-P-C4' energy: -152.477 flat angles P-C4'-P energy: -94.970 tors. eta vs tors. theta energy: -152.417 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: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1850.202249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.202249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.202249 (E_RNA) where: Base-Base interactions energy: -1232.216 where: short stacking energy: -588.121 Base-Backbone interact. energy: 3.031 local terms energy: -621.017426 where: bonds (distance) C4'-P energy: -117.928 bonds (distance) P-C4' energy: -134.404 flat angles C4'-P-C4' energy: -140.879 flat angles P-C4'-P energy: -98.058 tors. eta vs tors. theta energy: -129.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1758.872947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.872947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.872947 (E_RNA) where: Base-Base interactions energy: -1174.480 where: short stacking energy: -524.610 Base-Backbone interact. energy: -1.401 local terms energy: -582.992086 where: bonds (distance) C4'-P energy: -108.143 bonds (distance) P-C4' energy: -141.247 flat angles C4'-P-C4' energy: -132.356 flat angles P-C4'-P energy: -85.714 tors. eta vs tors. theta energy: -115.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1262.053258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.053258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.053258 (E_RNA) where: Base-Base interactions energy: -750.717 where: short stacking energy: -357.342 Base-Backbone interact. energy: -0.362 local terms energy: -510.974629 where: bonds (distance) C4'-P energy: -119.658 bonds (distance) P-C4' energy: -152.913 flat angles C4'-P-C4' energy: -116.516 flat angles P-C4'-P energy: -88.299 tors. eta vs tors. theta energy: -33.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2903.154386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.154386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.154386 (E_RNA) where: Base-Base interactions energy: -2069.137 where: short stacking energy: -831.037 Base-Backbone interact. energy: 0.635 local terms energy: -834.652324 where: bonds (distance) C4'-P energy: -151.411 bonds (distance) P-C4' energy: -167.884 flat angles C4'-P-C4' energy: -173.568 flat angles P-C4'-P energy: -124.881 tors. eta vs tors. theta energy: -216.909 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2821.117852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.117852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.117852 (E_RNA) where: Base-Base interactions energy: -1981.565 where: short stacking energy: -841.485 Base-Backbone interact. energy: 0.112 local terms energy: -839.665087 where: bonds (distance) C4'-P energy: -153.510 bonds (distance) P-C4' energy: -161.728 flat angles C4'-P-C4' energy: -176.270 flat angles P-C4'-P energy: -125.588 tors. eta vs tors. theta energy: -222.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2711.910938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.910938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.910938 (E_RNA) where: Base-Base interactions energy: -1890.647 where: short stacking energy: -813.246 Base-Backbone interact. energy: -3.948 local terms energy: -817.315960 where: bonds (distance) C4'-P energy: -142.381 bonds (distance) P-C4' energy: -157.017 flat angles C4'-P-C4' energy: -175.379 flat angles P-C4'-P energy: -121.336 tors. eta vs tors. theta energy: -221.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2489.724447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.724447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.724447 (E_RNA) where: Base-Base interactions energy: -1723.766 where: short stacking energy: -758.158 Base-Backbone interact. energy: -6.185 local terms energy: -759.773626 where: bonds (distance) C4'-P energy: -128.497 bonds (distance) P-C4' energy: -143.321 flat angles C4'-P-C4' energy: -171.691 flat angles P-C4'-P energy: -117.032 tors. eta vs tors. theta energy: -199.233 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: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2454.844533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.844533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.844533 (E_RNA) where: Base-Base interactions energy: -1753.574 where: short stacking energy: -723.953 Base-Backbone interact. energy: -4.954 local terms energy: -696.317059 where: bonds (distance) C4'-P energy: -137.937 bonds (distance) P-C4' energy: -153.515 flat angles C4'-P-C4' energy: -139.003 flat angles P-C4'-P energy: -91.102 tors. eta vs tors. theta energy: -174.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2302.840427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.840427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.840427 (E_RNA) where: Base-Base interactions energy: -1606.746 where: short stacking energy: -700.141 Base-Backbone interact. energy: -0.442 local terms energy: -695.652415 where: bonds (distance) C4'-P energy: -147.599 bonds (distance) P-C4' energy: -120.262 flat angles C4'-P-C4' energy: -149.495 flat angles P-C4'-P energy: -98.775 tors. eta vs tors. theta energy: -179.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -2080.974549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.974549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.974549 (E_RNA) where: Base-Base interactions energy: -1438.285 where: short stacking energy: -630.073 Base-Backbone interact. energy: 0.780 local terms energy: -643.469695 where: bonds (distance) C4'-P energy: -130.366 bonds (distance) P-C4' energy: -132.028 flat angles C4'-P-C4' energy: -148.952 flat angles P-C4'-P energy: -88.376 tors. eta vs tors. theta energy: -143.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1830.494212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.494212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.494212 (E_RNA) where: Base-Base interactions energy: -1211.239 where: short stacking energy: -522.932 Base-Backbone interact. energy: 0.549 local terms energy: -619.803967 where: bonds (distance) C4'-P energy: -130.108 bonds (distance) P-C4' energy: -135.101 flat angles C4'-P-C4' energy: -150.669 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -111.187 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: 9, replica: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1633.762454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.762454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.762454 (E_RNA) where: Base-Base interactions energy: -1103.785 where: short stacking energy: -466.621 Base-Backbone interact. energy: -3.930 local terms energy: -526.048025 where: bonds (distance) C4'-P energy: -119.086 bonds (distance) P-C4' energy: -125.565 flat angles C4'-P-C4' energy: -134.355 flat angles P-C4'-P energy: -66.515 tors. eta vs tors. theta energy: -80.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1272.383538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.383538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.383538 (E_RNA) where: Base-Base interactions energy: -787.217 where: short stacking energy: -356.113 Base-Backbone interact. energy: -0.786 local terms energy: -484.380093 where: bonds (distance) C4'-P energy: -108.398 bonds (distance) P-C4' energy: -129.169 flat angles C4'-P-C4' energy: -125.105 flat angles P-C4'-P energy: -81.021 tors. eta vs tors. theta energy: -40.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2871.800295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.800295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.800295 (E_RNA) where: Base-Base interactions energy: -2007.578 where: short stacking energy: -805.433 Base-Backbone interact. energy: -6.402 local terms energy: -857.820432 where: bonds (distance) C4'-P energy: -158.298 bonds (distance) P-C4' energy: -172.215 flat angles C4'-P-C4' energy: -171.031 flat angles P-C4'-P energy: -131.240 tors. eta vs tors. theta energy: -225.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2831.398379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.398379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.398379 (E_RNA) where: Base-Base interactions energy: -1986.872 where: short stacking energy: -870.485 Base-Backbone interact. energy: -1.877 local terms energy: -842.649797 where: bonds (distance) C4'-P energy: -146.702 bonds (distance) P-C4' energy: -161.181 flat angles C4'-P-C4' energy: -184.328 flat angles P-C4'-P energy: -121.890 tors. eta vs tors. theta energy: -228.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2696.110897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.110897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.110897 (E_RNA) where: Base-Base interactions energy: -1883.717 where: short stacking energy: -811.583 Base-Backbone interact. energy: -5.115 local terms energy: -807.279273 where: bonds (distance) C4'-P energy: -148.646 bonds (distance) P-C4' energy: -169.883 flat angles C4'-P-C4' energy: -178.020 flat angles P-C4'-P energy: -99.851 tors. eta vs tors. theta energy: -210.879 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: 8 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2484.096315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.096315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.096315 (E_RNA) where: Base-Base interactions energy: -1728.776 where: short stacking energy: -754.338 Base-Backbone interact. energy: -3.326 local terms energy: -751.994133 where: bonds (distance) C4'-P energy: -133.622 bonds (distance) P-C4' energy: -147.855 flat angles C4'-P-C4' energy: -177.625 flat angles P-C4'-P energy: -107.162 tors. eta vs tors. theta energy: -185.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2522.671939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.671939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.671939 (E_RNA) where: Base-Base interactions energy: -1783.938 where: short stacking energy: -750.780 Base-Backbone interact. energy: -1.551 local terms energy: -737.182948 where: bonds (distance) C4'-P energy: -138.204 bonds (distance) P-C4' energy: -142.249 flat angles C4'-P-C4' energy: -163.779 flat angles P-C4'-P energy: -102.754 tors. eta vs tors. theta energy: -190.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2281.541161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.541161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.541161 (E_RNA) where: Base-Base interactions energy: -1591.839 where: short stacking energy: -653.150 Base-Backbone interact. energy: -2.200 local terms energy: -687.502625 where: bonds (distance) C4'-P energy: -146.491 bonds (distance) P-C4' energy: -126.695 flat angles C4'-P-C4' energy: -159.209 flat angles P-C4'-P energy: -90.530 tors. eta vs tors. theta energy: -164.579 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: 7, replica: 9 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -2136.060199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.060199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.060199 (E_RNA) where: Base-Base interactions energy: -1474.996 where: short stacking energy: -654.374 Base-Backbone interact. energy: -2.135 local terms energy: -658.928895 where: bonds (distance) C4'-P energy: -127.047 bonds (distance) P-C4' energy: -131.089 flat angles C4'-P-C4' energy: -165.964 flat angles P-C4'-P energy: -81.724 tors. eta vs tors. theta energy: -153.106 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: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1957.230987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.230987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.230987 (E_RNA) where: Base-Base interactions energy: -1343.117 where: short stacking energy: -578.883 Base-Backbone interact. energy: -2.274 local terms energy: -611.839572 where: bonds (distance) C4'-P energy: -119.659 bonds (distance) P-C4' energy: -150.991 flat angles C4'-P-C4' energy: -132.672 flat angles P-C4'-P energy: -82.287 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: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1669.901122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.901122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.901122 (E_RNA) where: Base-Base interactions energy: -1111.698 where: short stacking energy: -489.623 Base-Backbone interact. energy: 2.760 local terms energy: -560.963009 where: bonds (distance) C4'-P energy: -114.892 bonds (distance) P-C4' energy: -133.821 flat angles C4'-P-C4' energy: -144.908 flat angles P-C4'-P energy: -63.757 tors. eta vs tors. theta energy: -103.586 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: 6 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1285.548225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.548225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.548225 (E_RNA) where: Base-Base interactions energy: -809.105 where: short stacking energy: -405.563 Base-Backbone interact. energy: -0.231 local terms energy: -476.212333 where: bonds (distance) C4'-P energy: -109.494 bonds (distance) P-C4' energy: -126.375 flat angles C4'-P-C4' energy: -116.754 flat angles P-C4'-P energy: -85.294 tors. eta vs tors. theta energy: -38.295 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: 101 Temperature: 0.900000 Total energy: -2912.287264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.287264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.287264 (E_RNA) where: Base-Base interactions energy: -2088.279 where: short stacking energy: -845.908 Base-Backbone interact. energy: -5.965 local terms energy: -818.042965 where: bonds (distance) C4'-P energy: -157.513 bonds (distance) P-C4' energy: -147.254 flat angles C4'-P-C4' energy: -161.896 flat angles P-C4'-P energy: -121.795 tors. eta vs tors. theta energy: -229.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2869.505709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.505709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.505709 (E_RNA) where: Base-Base interactions energy: -2025.428 where: short stacking energy: -872.849 Base-Backbone interact. energy: -3.113 local terms energy: -840.964697 where: bonds (distance) C4'-P energy: -143.524 bonds (distance) P-C4' energy: -165.808 flat angles C4'-P-C4' energy: -176.960 flat angles P-C4'-P energy: -127.824 tors. eta vs tors. theta energy: -226.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2694.988912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.988912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.988912 (E_RNA) where: Base-Base interactions energy: -1885.451 where: short stacking energy: -813.943 Base-Backbone interact. energy: -5.852 local terms energy: -803.685278 where: bonds (distance) C4'-P energy: -153.706 bonds (distance) P-C4' energy: -156.654 flat angles C4'-P-C4' energy: -175.983 flat angles P-C4'-P energy: -111.789 tors. eta vs tors. theta energy: -205.554 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: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2592.446748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.446748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.446748 (E_RNA) where: Base-Base interactions energy: -1826.813 where: short stacking energy: -787.581 Base-Backbone interact. energy: 0.420 local terms energy: -766.052952 where: bonds (distance) C4'-P energy: -123.233 bonds (distance) P-C4' energy: -148.972 flat angles C4'-P-C4' energy: -163.169 flat angles P-C4'-P energy: -118.636 tors. eta vs tors. theta energy: -212.044 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: 8 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2427.381844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.381844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.381844 (E_RNA) where: Base-Base interactions energy: -1678.399 where: short stacking energy: -738.399 Base-Backbone interact. energy: -1.701 local terms energy: -747.281516 where: bonds (distance) C4'-P energy: -139.878 bonds (distance) P-C4' energy: -141.463 flat angles C4'-P-C4' energy: -157.402 flat angles P-C4'-P energy: -116.504 tors. eta vs tors. theta energy: -192.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2261.329332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.329332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.329332 (E_RNA) where: Base-Base interactions energy: -1595.445 where: short stacking energy: -671.615 Base-Backbone interact. energy: -4.310 local terms energy: -661.574015 where: bonds (distance) C4'-P energy: -121.968 bonds (distance) P-C4' energy: -131.877 flat angles C4'-P-C4' energy: -163.578 flat angles P-C4'-P energy: -88.097 tors. eta vs tors. theta energy: -156.053 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: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -2126.124575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.124575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.124575 (E_RNA) where: Base-Base interactions energy: -1439.770 where: short stacking energy: -621.411 Base-Backbone interact. energy: 0.496 local terms energy: -686.850741 where: bonds (distance) C4'-P energy: -137.110 bonds (distance) P-C4' energy: -138.460 flat angles C4'-P-C4' energy: -158.507 flat angles P-C4'-P energy: -100.545 tors. eta vs tors. theta energy: -152.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -2085.519843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.519843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.519843 (E_RNA) where: Base-Base interactions energy: -1444.451 where: short stacking energy: -635.894 Base-Backbone interact. energy: -1.120 local terms energy: -639.949100 where: bonds (distance) C4'-P energy: -128.009 bonds (distance) P-C4' energy: -121.823 flat angles C4'-P-C4' energy: -159.418 flat angles P-C4'-P energy: -78.852 tors. eta vs tors. theta energy: -151.848 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: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1697.574411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.574411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.574411 (E_RNA) where: Base-Base interactions energy: -1148.271 where: short stacking energy: -518.610 Base-Backbone interact. energy: -3.111 local terms energy: -546.192083 where: bonds (distance) C4'-P energy: -118.962 bonds (distance) P-C4' energy: -120.654 flat angles C4'-P-C4' energy: -129.473 flat angles P-C4'-P energy: -78.442 tors. eta vs tors. theta energy: -98.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1339.270914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.270914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.270914 (E_RNA) where: Base-Base interactions energy: -834.149 where: short stacking energy: -393.989 Base-Backbone interact. energy: -0.934 local terms energy: -504.188010 where: bonds (distance) C4'-P energy: -100.984 bonds (distance) P-C4' energy: -142.094 flat angles C4'-P-C4' energy: -133.381 flat angles P-C4'-P energy: -76.204 tors. eta vs tors. theta energy: -51.525 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: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2919.116570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.116570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.116570 (E_RNA) where: Base-Base interactions energy: -2054.246 where: short stacking energy: -839.377 Base-Backbone interact. energy: -4.225 local terms energy: -860.645670 where: bonds (distance) C4'-P energy: -172.681 bonds (distance) P-C4' energy: -164.699 flat angles C4'-P-C4' energy: -180.209 flat angles P-C4'-P energy: -129.301 tors. eta vs tors. theta energy: -213.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2821.390287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.390287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.390287 (E_RNA) where: Base-Base interactions energy: -1980.146 where: short stacking energy: -867.362 Base-Backbone interact. energy: 1.097 local terms energy: -842.341482 where: bonds (distance) C4'-P energy: -165.212 bonds (distance) P-C4' energy: -152.704 flat angles C4'-P-C4' energy: -189.477 flat angles P-C4'-P energy: -116.538 tors. eta vs tors. theta energy: -218.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2727.712203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.712203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.712203 (E_RNA) where: Base-Base interactions energy: -1911.226 where: short stacking energy: -824.073 Base-Backbone interact. energy: -5.012 local terms energy: -811.474676 where: bonds (distance) C4'-P energy: -145.313 bonds (distance) P-C4' energy: -158.686 flat angles C4'-P-C4' energy: -164.214 flat angles P-C4'-P energy: -124.910 tors. eta vs tors. theta energy: -218.352 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: 102 Temperature: 1.050000 Total energy: -2598.361204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.361204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.361204 (E_RNA) where: Base-Base interactions energy: -1836.221 where: short stacking energy: -778.525 Base-Backbone interact. energy: 1.479 local terms energy: -763.619582 where: bonds (distance) C4'-P energy: -136.580 bonds (distance) P-C4' energy: -149.722 flat angles C4'-P-C4' energy: -175.246 flat angles P-C4'-P energy: -96.430 tors. eta vs tors. theta energy: -205.642 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: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2418.924528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.924528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.924528 (E_RNA) where: Base-Base interactions energy: -1677.469 where: short stacking energy: -737.562 Base-Backbone interact. energy: -0.526 local terms energy: -740.929711 where: bonds (distance) C4'-P energy: -139.019 bonds (distance) P-C4' energy: -153.191 flat angles C4'-P-C4' energy: -154.495 flat angles P-C4'-P energy: -107.698 tors. eta vs tors. theta energy: -186.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2297.291864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.291864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.291864 (E_RNA) where: Base-Base interactions energy: -1592.843 where: short stacking energy: -686.360 Base-Backbone interact. energy: -2.215 local terms energy: -702.234287 where: bonds (distance) C4'-P energy: -150.657 bonds (distance) P-C4' energy: -130.239 flat angles C4'-P-C4' energy: -170.400 flat angles P-C4'-P energy: -86.873 tors. eta vs tors. theta energy: -164.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -2168.981298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.981298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.981298 (E_RNA) where: Base-Base interactions energy: -1535.553 where: short stacking energy: -684.635 Base-Backbone interact. energy: -1.605 local terms energy: -631.823215 where: bonds (distance) C4'-P energy: -108.787 bonds (distance) P-C4' energy: -143.088 flat angles C4'-P-C4' energy: -135.753 flat angles P-C4'-P energy: -85.515 tors. eta vs tors. theta energy: -158.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -2018.461363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.461363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.461363 (E_RNA) where: Base-Base interactions energy: -1385.413 where: short stacking energy: -596.102 Base-Backbone interact. energy: -5.816 local terms energy: -627.232774 where: bonds (distance) C4'-P energy: -109.309 bonds (distance) P-C4' energy: -138.098 flat angles C4'-P-C4' energy: -137.745 flat angles P-C4'-P energy: -99.905 tors. eta vs tors. theta energy: -142.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1694.745869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.745869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.745869 (E_RNA) where: Base-Base interactions energy: -1142.588 where: short stacking energy: -496.859 Base-Backbone interact. energy: -0.473 local terms energy: -551.684879 where: bonds (distance) C4'-P energy: -117.113 bonds (distance) P-C4' energy: -117.033 flat angles C4'-P-C4' energy: -144.589 flat angles P-C4'-P energy: -76.871 tors. eta vs tors. theta energy: -96.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1328.365364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.365364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.365364 (E_RNA) where: Base-Base interactions energy: -871.077 where: short stacking energy: -388.704 Base-Backbone interact. energy: 4.943 local terms energy: -462.232045 where: bonds (distance) C4'-P energy: -97.464 bonds (distance) P-C4' energy: -119.379 flat angles C4'-P-C4' energy: -128.513 flat angles P-C4'-P energy: -63.406 tors. eta vs tors. theta energy: -53.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2909.732036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.732036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.732036 (E_RNA) where: Base-Base interactions energy: -2060.448 where: short stacking energy: -860.444 Base-Backbone interact. energy: -3.394 local terms energy: -845.890054 where: bonds (distance) C4'-P energy: -151.645 bonds (distance) P-C4' energy: -165.790 flat angles C4'-P-C4' energy: -188.960 flat angles P-C4'-P energy: -125.293 tors. eta vs tors. theta energy: -214.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2816.464509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.464509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.464509 (E_RNA) where: Base-Base interactions energy: -1950.036 where: short stacking energy: -817.964 Base-Backbone interact. energy: -0.407 local terms energy: -866.021712 where: bonds (distance) C4'-P energy: -163.698 bonds (distance) P-C4' energy: -170.993 flat angles C4'-P-C4' energy: -179.040 flat angles P-C4'-P energy: -142.703 tors. eta vs tors. theta energy: -209.587 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: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2709.917580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.917580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.917580 (E_RNA) where: Base-Base interactions energy: -1904.083 where: short stacking energy: -815.372 Base-Backbone interact. energy: -6.022 local terms energy: -799.812377 where: bonds (distance) C4'-P energy: -142.186 bonds (distance) P-C4' energy: -155.870 flat angles C4'-P-C4' energy: -180.447 flat angles P-C4'-P energy: -108.169 tors. eta vs tors. theta energy: -213.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2639.497077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.497077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.497077 (E_RNA) where: Base-Base interactions energy: -1853.143 where: short stacking energy: -794.043 Base-Backbone interact. energy: -4.698 local terms energy: -781.656190 where: bonds (distance) C4'-P energy: -156.537 bonds (distance) P-C4' energy: -142.644 flat angles C4'-P-C4' energy: -156.434 flat angles P-C4'-P energy: -119.704 tors. eta vs tors. theta energy: -206.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2432.733798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.733798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.733798 (E_RNA) where: Base-Base interactions energy: -1685.827 where: short stacking energy: -741.421 Base-Backbone interact. energy: -3.322 local terms energy: -743.584903 where: bonds (distance) C4'-P energy: -138.352 bonds (distance) P-C4' energy: -149.993 flat angles C4'-P-C4' energy: -163.066 flat angles P-C4'-P energy: -98.143 tors. eta vs tors. theta energy: -194.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2269.277133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.277133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.277133 (E_RNA) where: Base-Base interactions energy: -1563.993 where: short stacking energy: -669.837 Base-Backbone interact. energy: -1.807 local terms energy: -703.476746 where: bonds (distance) C4'-P energy: -128.568 bonds (distance) P-C4' energy: -149.219 flat angles C4'-P-C4' energy: -147.383 flat angles P-C4'-P energy: -107.270 tors. eta vs tors. theta energy: -171.037 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: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -2214.519230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.519230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.519230 (E_RNA) where: Base-Base interactions energy: -1592.145 where: short stacking energy: -659.208 Base-Backbone interact. energy: -0.640 local terms energy: -621.734333 where: bonds (distance) C4'-P energy: -127.052 bonds (distance) P-C4' energy: -127.212 flat angles C4'-P-C4' energy: -136.771 flat angles P-C4'-P energy: -80.659 tors. eta vs tors. theta energy: -150.040 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: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1981.816802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.816802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.816802 (E_RNA) where: Base-Base interactions energy: -1373.165 where: short stacking energy: -590.507 Base-Backbone interact. energy: -0.308 local terms energy: -608.343667 where: bonds (distance) C4'-P energy: -120.914 bonds (distance) P-C4' energy: -132.066 flat angles C4'-P-C4' energy: -146.668 flat angles P-C4'-P energy: -73.561 tors. eta vs tors. theta energy: -135.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1694.068018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.068018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.068018 (E_RNA) where: Base-Base interactions energy: -1135.489 where: short stacking energy: -526.497 Base-Backbone interact. energy: -3.993 local terms energy: -554.586639 where: bonds (distance) C4'-P energy: -127.134 bonds (distance) P-C4' energy: -117.467 flat angles C4'-P-C4' energy: -133.873 flat angles P-C4'-P energy: -57.579 tors. eta vs tors. theta energy: -118.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1275.074524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.074524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.074524 (E_RNA) where: Base-Base interactions energy: -785.098 where: short stacking energy: -360.882 Base-Backbone interact. energy: -4.530 local terms energy: -485.446073 where: bonds (distance) C4'-P energy: -104.823 bonds (distance) P-C4' energy: -121.517 flat angles C4'-P-C4' energy: -142.226 flat angles P-C4'-P energy: -68.589 tors. eta vs tors. theta energy: -48.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2904.816863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.816863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.816863 (E_RNA) where: Base-Base interactions energy: -2069.692 where: short stacking energy: -866.409 Base-Backbone interact. energy: 0.868 local terms energy: -835.993280 where: bonds (distance) C4'-P energy: -154.971 bonds (distance) P-C4' energy: -160.357 flat angles C4'-P-C4' energy: -173.343 flat angles P-C4'-P energy: -125.369 tors. eta vs tors. theta energy: -221.953 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: 2, replica: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2834.837802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.837802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.837802 (E_RNA) where: Base-Base interactions energy: -1994.927 where: short stacking energy: -843.919 Base-Backbone interact. energy: -4.055 local terms energy: -835.856304 where: bonds (distance) C4'-P energy: -150.965 bonds (distance) P-C4' energy: -162.971 flat angles C4'-P-C4' energy: -182.384 flat angles P-C4'-P energy: -128.793 tors. eta vs tors. theta energy: -210.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2678.622514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.622514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.622514 (E_RNA) where: Base-Base interactions energy: -1850.216 where: short stacking energy: -783.242 Base-Backbone interact. energy: -5.060 local terms energy: -823.346123 where: bonds (distance) C4'-P energy: -157.148 bonds (distance) P-C4' energy: -161.190 flat angles C4'-P-C4' energy: -175.490 flat angles P-C4'-P energy: -121.392 tors. eta vs tors. theta energy: -208.126 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: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2631.727242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.727242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.727242 (E_RNA) where: Base-Base interactions energy: -1855.219 where: short stacking energy: -777.970 Base-Backbone interact. energy: -1.414 local terms energy: -775.094151 where: bonds (distance) C4'-P energy: -135.135 bonds (distance) P-C4' energy: -147.239 flat angles C4'-P-C4' energy: -179.121 flat angles P-C4'-P energy: -116.470 tors. eta vs tors. theta energy: -197.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2407.345738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.345738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.345738 (E_RNA) where: Base-Base interactions energy: -1683.846 where: short stacking energy: -730.181 Base-Backbone interact. energy: 3.235 local terms energy: -726.734697 where: bonds (distance) C4'-P energy: -129.346 bonds (distance) P-C4' energy: -154.011 flat angles C4'-P-C4' energy: -155.365 flat angles P-C4'-P energy: -91.158 tors. eta vs tors. theta energy: -196.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2266.448309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.448309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.448309 (E_RNA) where: Base-Base interactions energy: -1571.504 where: short stacking energy: -681.976 Base-Backbone interact. energy: -1.228 local terms energy: -693.715786 where: bonds (distance) C4'-P energy: -124.756 bonds (distance) P-C4' energy: -132.724 flat angles C4'-P-C4' energy: -167.037 flat angles P-C4'-P energy: -104.637 tors. eta vs tors. theta energy: -164.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -2240.727095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.727095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.727095 (E_RNA) where: Base-Base interactions energy: -1573.829 where: short stacking energy: -651.606 Base-Backbone interact. energy: -5.520 local terms energy: -661.377453 where: bonds (distance) C4'-P energy: -101.110 bonds (distance) P-C4' energy: -135.670 flat angles C4'-P-C4' energy: -148.183 flat angles P-C4'-P energy: -112.345 tors. eta vs tors. theta energy: -164.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -2006.357644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.357644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.357644 (E_RNA) where: Base-Base interactions energy: -1390.633 where: short stacking energy: -590.184 Base-Backbone interact. energy: -3.250 local terms energy: -612.474452 where: bonds (distance) C4'-P energy: -133.118 bonds (distance) P-C4' energy: -128.324 flat angles C4'-P-C4' energy: -143.624 flat angles P-C4'-P energy: -78.217 tors. eta vs tors. theta energy: -129.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1722.047332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.047332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.047332 (E_RNA) where: Base-Base interactions energy: -1143.847 where: short stacking energy: -544.484 Base-Backbone interact. energy: 0.150 local terms energy: -578.350188 where: bonds (distance) C4'-P energy: -105.671 bonds (distance) P-C4' energy: -131.182 flat angles C4'-P-C4' energy: -141.767 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: -118.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1248.836997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.836997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.836997 (E_RNA) where: Base-Base interactions energy: -799.841 where: short stacking energy: -377.369 Base-Backbone interact. energy: -3.751 local terms energy: -445.244988 where: bonds (distance) C4'-P energy: -99.710 bonds (distance) P-C4' energy: -123.698 flat angles C4'-P-C4' energy: -122.262 flat angles P-C4'-P energy: -58.332 tors. eta vs tors. theta energy: -41.243 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: 105 Temperature: 0.900000 Total energy: -2868.499545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.499545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.499545 (E_RNA) where: Base-Base interactions energy: -2049.759 where: short stacking energy: -842.747 Base-Backbone interact. energy: -3.207 local terms energy: -815.534083 where: bonds (distance) C4'-P energy: -151.096 bonds (distance) P-C4' energy: -151.139 flat angles C4'-P-C4' energy: -171.263 flat angles P-C4'-P energy: -121.529 tors. eta vs tors. theta energy: -220.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2782.248372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.248372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.248372 (E_RNA) where: Base-Base interactions energy: -1944.445 where: short stacking energy: -857.107 Base-Backbone interact. energy: -3.820 local terms energy: -833.983171 where: bonds (distance) C4'-P energy: -146.125 bonds (distance) P-C4' energy: -150.281 flat angles C4'-P-C4' energy: -187.193 flat angles P-C4'-P energy: -123.834 tors. eta vs tors. theta energy: -226.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2651.872993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.872993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.872993 (E_RNA) where: Base-Base interactions energy: -1841.292 where: short stacking energy: -793.574 Base-Backbone interact. energy: -2.748 local terms energy: -807.832464 where: bonds (distance) C4'-P energy: -151.220 bonds (distance) P-C4' energy: -154.292 flat angles C4'-P-C4' energy: -178.848 flat angles P-C4'-P energy: -111.106 tors. eta vs tors. theta energy: -212.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2632.613769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.613769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.613769 (E_RNA) where: Base-Base interactions energy: -1843.041 where: short stacking energy: -800.176 Base-Backbone interact. energy: -0.699 local terms energy: -788.873210 where: bonds (distance) C4'-P energy: -146.411 bonds (distance) P-C4' energy: -158.510 flat angles C4'-P-C4' energy: -164.006 flat angles P-C4'-P energy: -109.209 tors. eta vs tors. theta energy: -210.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2395.594930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.594930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.594930 (E_RNA) where: Base-Base interactions energy: -1653.874 where: short stacking energy: -721.081 Base-Backbone interact. energy: -6.719 local terms energy: -735.001921 where: bonds (distance) C4'-P energy: -140.795 bonds (distance) P-C4' energy: -137.603 flat angles C4'-P-C4' energy: -170.383 flat angles P-C4'-P energy: -98.903 tors. eta vs tors. theta energy: -187.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2201.902338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.902338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.902338 (E_RNA) where: Base-Base interactions energy: -1511.498 where: short stacking energy: -682.176 Base-Backbone interact. energy: -3.205 local terms energy: -687.199432 where: bonds (distance) C4'-P energy: -140.794 bonds (distance) P-C4' energy: -127.002 flat angles C4'-P-C4' energy: -158.145 flat angles P-C4'-P energy: -87.627 tors. eta vs tors. theta energy: -173.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -2154.443790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.443790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.443790 (E_RNA) where: Base-Base interactions energy: -1492.045 where: short stacking energy: -658.264 Base-Backbone interact. energy: 1.248 local terms energy: -663.646889 where: bonds (distance) C4'-P energy: -114.058 bonds (distance) P-C4' energy: -128.219 flat angles C4'-P-C4' energy: -159.755 flat angles P-C4'-P energy: -104.667 tors. eta vs tors. theta energy: -156.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1948.632305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.632305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.632305 (E_RNA) where: Base-Base interactions energy: -1298.143 where: short stacking energy: -581.913 Base-Backbone interact. energy: 3.123 local terms energy: -653.612825 where: bonds (distance) C4'-P energy: -116.817 bonds (distance) P-C4' energy: -135.503 flat angles C4'-P-C4' energy: -149.441 flat angles P-C4'-P energy: -106.728 tors. eta vs tors. theta energy: -145.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1676.300919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.300919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.300919 (E_RNA) where: Base-Base interactions energy: -1118.294 where: short stacking energy: -486.508 Base-Backbone interact. energy: 1.185 local terms energy: -559.191787 where: bonds (distance) C4'-P energy: -120.870 bonds (distance) P-C4' energy: -123.514 flat angles C4'-P-C4' energy: -125.032 flat angles P-C4'-P energy: -84.862 tors. eta vs tors. theta energy: -104.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1316.320309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.320309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.320309 (E_RNA) where: Base-Base interactions energy: -826.433 where: short stacking energy: -391.746 Base-Backbone interact. energy: 0.535 local terms energy: -490.422816 where: bonds (distance) C4'-P energy: -117.239 bonds (distance) P-C4' energy: -145.997 flat angles C4'-P-C4' energy: -118.444 flat angles P-C4'-P energy: -67.818 tors. eta vs tors. theta energy: -40.926 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: 106 Temperature: 0.900000 Total energy: -2878.165740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.165740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.165740 (E_RNA) where: Base-Base interactions energy: -2051.949 where: short stacking energy: -824.416 Base-Backbone interact. energy: -2.041 local terms energy: -824.175915 where: bonds (distance) C4'-P energy: -153.386 bonds (distance) P-C4' energy: -160.827 flat angles C4'-P-C4' energy: -176.098 flat angles P-C4'-P energy: -117.003 tors. eta vs tors. theta energy: -216.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2786.761675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.761675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.761675 (E_RNA) where: Base-Base interactions energy: -1971.326 where: short stacking energy: -853.885 Base-Backbone interact. energy: 0.474 local terms energy: -815.909765 where: bonds (distance) C4'-P energy: -156.528 bonds (distance) P-C4' energy: -136.251 flat angles C4'-P-C4' energy: -177.353 flat angles P-C4'-P energy: -127.249 tors. eta vs tors. theta energy: -218.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2710.067051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.067051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.067051 (E_RNA) where: Base-Base interactions energy: -1881.718 where: short stacking energy: -842.138 Base-Backbone interact. energy: -2.520 local terms energy: -825.829160 where: bonds (distance) C4'-P energy: -164.243 bonds (distance) P-C4' energy: -155.239 flat angles C4'-P-C4' energy: -178.059 flat angles P-C4'-P energy: -107.675 tors. eta vs tors. theta energy: -220.614 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: 106 Temperature: 1.050000 Total energy: -2602.443569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.443569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.443569 (E_RNA) where: Base-Base interactions energy: -1823.711 where: short stacking energy: -779.100 Base-Backbone interact. energy: -4.569 local terms energy: -774.162858 where: bonds (distance) C4'-P energy: -146.324 bonds (distance) P-C4' energy: -145.199 flat angles C4'-P-C4' energy: -165.154 flat angles P-C4'-P energy: -111.178 tors. eta vs tors. theta energy: -206.309 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: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2397.528326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.528326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.528326 (E_RNA) where: Base-Base interactions energy: -1684.941 where: short stacking energy: -718.295 Base-Backbone interact. energy: -0.680 local terms energy: -711.907117 where: bonds (distance) C4'-P energy: -126.419 bonds (distance) P-C4' energy: -150.240 flat angles C4'-P-C4' energy: -162.961 flat angles P-C4'-P energy: -109.576 tors. eta vs tors. theta energy: -162.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2205.231976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.231976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.231976 (E_RNA) where: Base-Base interactions energy: -1508.298 where: short stacking energy: -649.371 Base-Backbone interact. energy: 1.616 local terms energy: -698.550397 where: bonds (distance) C4'-P energy: -132.365 bonds (distance) P-C4' energy: -151.183 flat angles C4'-P-C4' energy: -146.593 flat angles P-C4'-P energy: -98.630 tors. eta vs tors. theta energy: -169.780 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: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -2132.694951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.694951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.694951 (E_RNA) where: Base-Base interactions energy: -1477.784 where: short stacking energy: -646.465 Base-Backbone interact. energy: 2.713 local terms energy: -657.623391 where: bonds (distance) C4'-P energy: -133.506 bonds (distance) P-C4' energy: -151.069 flat angles C4'-P-C4' energy: -143.872 flat angles P-C4'-P energy: -81.410 tors. eta vs tors. theta energy: -147.766 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: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1810.024418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.024418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.024418 (E_RNA) where: Base-Base interactions energy: -1230.388 where: short stacking energy: -520.374 Base-Backbone interact. energy: 1.229 local terms energy: -580.865897 where: bonds (distance) C4'-P energy: -138.805 bonds (distance) P-C4' energy: -115.551 flat angles C4'-P-C4' energy: -139.009 flat angles P-C4'-P energy: -86.338 tors. eta vs tors. theta energy: -101.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1639.856467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.856467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.856467 (E_RNA) where: Base-Base interactions energy: -1107.945 where: short stacking energy: -484.145 Base-Backbone interact. energy: 4.974 local terms energy: -536.885256 where: bonds (distance) C4'-P energy: -110.060 bonds (distance) P-C4' energy: -128.503 flat angles C4'-P-C4' energy: -131.052 flat angles P-C4'-P energy: -77.591 tors. eta vs tors. theta energy: -89.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1337.250350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.250350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.250350 (E_RNA) where: Base-Base interactions energy: -830.396 where: short stacking energy: -420.631 Base-Backbone interact. energy: 1.180 local terms energy: -508.034910 where: bonds (distance) C4'-P energy: -125.104 bonds (distance) P-C4' energy: -139.446 flat angles C4'-P-C4' energy: -123.701 flat angles P-C4'-P energy: -56.043 tors. eta vs tors. theta energy: -63.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2901.848971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.848971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.848971 (E_RNA) where: Base-Base interactions energy: -2059.842 where: short stacking energy: -858.834 Base-Backbone interact. energy: 0.409 local terms energy: -842.415897 where: bonds (distance) C4'-P energy: -155.923 bonds (distance) P-C4' energy: -165.077 flat angles C4'-P-C4' energy: -179.733 flat angles P-C4'-P energy: -126.537 tors. eta vs tors. theta energy: -215.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2780.966644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.966644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.966644 (E_RNA) where: Base-Base interactions energy: -1922.660 where: short stacking energy: -878.723 Base-Backbone interact. energy: -0.306 local terms energy: -858.000727 where: bonds (distance) C4'-P energy: -150.089 bonds (distance) P-C4' energy: -171.380 flat angles C4'-P-C4' energy: -181.709 flat angles P-C4'-P energy: -125.389 tors. eta vs tors. theta energy: -229.434 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: 107 Temperature: 1.000000 Total energy: -2726.738364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.738364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.738364 (E_RNA) where: Base-Base interactions energy: -1912.189 where: short stacking energy: -793.222 Base-Backbone interact. energy: 0.008 local terms energy: -814.557749 where: bonds (distance) C4'-P energy: -165.125 bonds (distance) P-C4' energy: -146.678 flat angles C4'-P-C4' energy: -181.762 flat angles P-C4'-P energy: -129.504 tors. eta vs tors. theta energy: -191.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2626.428004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.428004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.428004 (E_RNA) where: Base-Base interactions energy: -1873.934 where: short stacking energy: -796.990 Base-Backbone interact. energy: -0.645 local terms energy: -751.848952 where: bonds (distance) C4'-P energy: -143.819 bonds (distance) P-C4' energy: -126.692 flat angles C4'-P-C4' energy: -177.735 flat angles P-C4'-P energy: -104.309 tors. eta vs tors. theta energy: -199.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2368.559430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.559430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.559430 (E_RNA) where: Base-Base interactions energy: -1653.788 where: short stacking energy: -714.672 Base-Backbone interact. energy: -2.742 local terms energy: -712.029622 where: bonds (distance) C4'-P energy: -145.503 bonds (distance) P-C4' energy: -141.695 flat angles C4'-P-C4' energy: -159.269 flat angles P-C4'-P energy: -92.705 tors. eta vs tors. theta energy: -172.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2213.474975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.474975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.474975 (E_RNA) where: Base-Base interactions energy: -1539.373 where: short stacking energy: -627.589 Base-Backbone interact. energy: -4.452 local terms energy: -669.649151 where: bonds (distance) C4'-P energy: -120.902 bonds (distance) P-C4' energy: -150.903 flat angles C4'-P-C4' energy: -159.195 flat angles P-C4'-P energy: -96.414 tors. eta vs tors. theta energy: -142.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2142.650000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.650000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.650000 (E_RNA) where: Base-Base interactions energy: -1455.174 where: short stacking energy: -639.695 Base-Backbone interact. energy: 0.175 local terms energy: -687.651093 where: bonds (distance) C4'-P energy: -135.059 bonds (distance) P-C4' energy: -139.658 flat angles C4'-P-C4' energy: -159.309 flat angles P-C4'-P energy: -99.062 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: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1830.085097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.085097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.085097 (E_RNA) where: Base-Base interactions energy: -1245.605 where: short stacking energy: -528.243 Base-Backbone interact. energy: 11.595 local terms energy: -596.075259 where: bonds (distance) C4'-P energy: -114.018 bonds (distance) P-C4' energy: -153.664 flat angles C4'-P-C4' energy: -137.590 flat angles P-C4'-P energy: -93.589 tors. eta vs tors. theta energy: -97.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1574.970010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.970010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.970010 (E_RNA) where: Base-Base interactions energy: -1044.297 where: short stacking energy: -465.298 Base-Backbone interact. energy: -3.986 local terms energy: -526.687275 where: bonds (distance) C4'-P energy: -133.412 bonds (distance) P-C4' energy: -116.817 flat angles C4'-P-C4' energy: -110.787 flat angles P-C4'-P energy: -70.285 tors. eta vs tors. theta energy: -95.387 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: 6 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1296.374700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.374700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.374700 (E_RNA) where: Base-Base interactions energy: -805.555 where: short stacking energy: -365.838 Base-Backbone interact. energy: -2.563 local terms energy: -488.256510 where: bonds (distance) C4'-P energy: -134.197 bonds (distance) P-C4' energy: -130.805 flat angles C4'-P-C4' energy: -152.538 flat angles P-C4'-P energy: -48.172 tors. eta vs tors. theta energy: -22.546 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: 108 Temperature: 0.900000 Total energy: -2929.859427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.859427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.859427 (E_RNA) where: Base-Base interactions energy: -2104.734 where: short stacking energy: -863.386 Base-Backbone interact. energy: -5.560 local terms energy: -819.565813 where: bonds (distance) C4'-P energy: -149.279 bonds (distance) P-C4' energy: -156.123 flat angles C4'-P-C4' energy: -175.942 flat angles P-C4'-P energy: -119.047 tors. eta vs tors. theta energy: -219.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2787.977844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.977844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.977844 (E_RNA) where: Base-Base interactions energy: -1968.032 where: short stacking energy: -862.134 Base-Backbone interact. energy: -4.327 local terms energy: -815.619029 where: bonds (distance) C4'-P energy: -141.395 bonds (distance) P-C4' energy: -162.786 flat angles C4'-P-C4' energy: -175.771 flat angles P-C4'-P energy: -115.966 tors. eta vs tors. theta energy: -219.700 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: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2777.586961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.586961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.586961 (E_RNA) where: Base-Base interactions energy: -1953.866 where: short stacking energy: -829.732 Base-Backbone interact. energy: -2.808 local terms energy: -820.913565 where: bonds (distance) C4'-P energy: -148.181 bonds (distance) P-C4' energy: -158.059 flat angles C4'-P-C4' energy: -181.032 flat angles P-C4'-P energy: -124.625 tors. eta vs tors. theta energy: -209.017 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: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2601.101939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.101939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.101939 (E_RNA) where: Base-Base interactions energy: -1857.695 where: short stacking energy: -787.881 Base-Backbone interact. energy: 0.484 local terms energy: -743.891557 where: bonds (distance) C4'-P energy: -143.400 bonds (distance) P-C4' energy: -125.628 flat angles C4'-P-C4' energy: -170.753 flat angles P-C4'-P energy: -104.398 tors. eta vs tors. theta energy: -199.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2378.082272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.082272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.082272 (E_RNA) where: Base-Base interactions energy: -1637.685 where: short stacking energy: -758.477 Base-Backbone interact. energy: -2.937 local terms energy: -737.460225 where: bonds (distance) C4'-P energy: -121.849 bonds (distance) P-C4' energy: -145.471 flat angles C4'-P-C4' energy: -157.406 flat angles P-C4'-P energy: -112.701 tors. eta vs tors. theta energy: -200.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2233.964081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.964081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.964081 (E_RNA) where: Base-Base interactions energy: -1564.816 where: short stacking energy: -633.709 Base-Backbone interact. energy: 0.920 local terms energy: -670.067826 where: bonds (distance) C4'-P energy: -140.948 bonds (distance) P-C4' energy: -131.302 flat angles C4'-P-C4' energy: -151.159 flat angles P-C4'-P energy: -94.448 tors. eta vs tors. theta energy: -152.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -2123.510805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.510805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.510805 (E_RNA) where: Base-Base interactions energy: -1470.120 where: short stacking energy: -636.807 Base-Backbone interact. energy: -2.724 local terms energy: -650.667489 where: bonds (distance) C4'-P energy: -143.877 bonds (distance) P-C4' energy: -119.897 flat angles C4'-P-C4' energy: -134.356 flat angles P-C4'-P energy: -98.154 tors. eta vs tors. theta energy: -154.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1821.281947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.281947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.281947 (E_RNA) where: Base-Base interactions energy: -1233.719 where: short stacking energy: -527.807 Base-Backbone interact. energy: -3.148 local terms energy: -584.415143 where: bonds (distance) C4'-P energy: -124.011 bonds (distance) P-C4' energy: -136.225 flat angles C4'-P-C4' energy: -128.238 flat angles P-C4'-P energy: -96.961 tors. eta vs tors. theta energy: -98.980 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: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1605.850504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.850504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.850504 (E_RNA) where: Base-Base interactions energy: -1083.665 where: short stacking energy: -494.174 Base-Backbone interact. energy: 2.676 local terms energy: -524.860636 where: bonds (distance) C4'-P energy: -120.781 bonds (distance) P-C4' energy: -127.376 flat angles C4'-P-C4' energy: -104.347 flat angles P-C4'-P energy: -64.882 tors. eta vs tors. theta energy: -107.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1305.436996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.436996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.436996 (E_RNA) where: Base-Base interactions energy: -806.002 where: short stacking energy: -395.991 Base-Backbone interact. energy: 3.328 local terms energy: -502.762299 where: bonds (distance) C4'-P energy: -112.634 bonds (distance) P-C4' energy: -142.893 flat angles C4'-P-C4' energy: -123.113 flat angles P-C4'-P energy: -80.933 tors. eta vs tors. theta energy: -43.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2911.977958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.977958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.977958 (E_RNA) where: Base-Base interactions energy: -2073.980 where: short stacking energy: -857.533 Base-Backbone interact. energy: -1.987 local terms energy: -836.011663 where: bonds (distance) C4'-P energy: -167.919 bonds (distance) P-C4' energy: -153.999 flat angles C4'-P-C4' energy: -170.493 flat angles P-C4'-P energy: -131.159 tors. eta vs tors. theta energy: -212.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2780.136045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.136045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.136045 (E_RNA) where: Base-Base interactions energy: -1939.615 where: short stacking energy: -848.017 Base-Backbone interact. energy: -3.272 local terms energy: -837.249494 where: bonds (distance) C4'-P energy: -154.628 bonds (distance) P-C4' energy: -162.387 flat angles C4'-P-C4' energy: -186.572 flat angles P-C4'-P energy: -114.259 tors. eta vs tors. theta energy: -219.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2777.157008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.157008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.157008 (E_RNA) where: Base-Base interactions energy: -1939.657 where: short stacking energy: -830.995 Base-Backbone interact. energy: -1.518 local terms energy: -835.981906 where: bonds (distance) C4'-P energy: -150.818 bonds (distance) P-C4' energy: -153.274 flat angles C4'-P-C4' energy: -183.795 flat angles P-C4'-P energy: -112.186 tors. eta vs tors. theta energy: -235.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2623.237597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.237597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.237597 (E_RNA) where: Base-Base interactions energy: -1837.569 where: short stacking energy: -806.837 Base-Backbone interact. energy: 0.570 local terms energy: -786.239324 where: bonds (distance) C4'-P energy: -135.219 bonds (distance) P-C4' energy: -156.175 flat angles C4'-P-C4' energy: -177.080 flat angles P-C4'-P energy: -107.968 tors. eta vs tors. theta energy: -209.798 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: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2397.534012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.534012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.534012 (E_RNA) where: Base-Base interactions energy: -1656.059 where: short stacking energy: -715.923 Base-Backbone interact. energy: -2.879 local terms energy: -738.596287 where: bonds (distance) C4'-P energy: -136.051 bonds (distance) P-C4' energy: -158.621 flat angles C4'-P-C4' energy: -161.542 flat angles P-C4'-P energy: -97.894 tors. eta vs tors. theta energy: -184.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2236.406644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.406644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.406644 (E_RNA) where: Base-Base interactions energy: -1566.903 where: short stacking energy: -693.667 Base-Backbone interact. energy: -4.241 local terms energy: -665.263007 where: bonds (distance) C4'-P energy: -142.330 bonds (distance) P-C4' energy: -123.599 flat angles C4'-P-C4' energy: -149.006 flat angles P-C4'-P energy: -85.106 tors. eta vs tors. theta energy: -165.222 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: 109 Temperature: 1.200000 Total energy: -2133.804759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.804759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.804759 (E_RNA) where: Base-Base interactions energy: -1464.617 where: short stacking energy: -657.839 Base-Backbone interact. energy: -2.484 local terms energy: -666.702978 where: bonds (distance) C4'-P energy: -125.414 bonds (distance) P-C4' energy: -130.008 flat angles C4'-P-C4' energy: -151.434 flat angles P-C4'-P energy: -84.371 tors. eta vs tors. theta energy: -175.475 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: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1803.555940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.555940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.555940 (E_RNA) where: Base-Base interactions energy: -1206.280 where: short stacking energy: -506.966 Base-Backbone interact. energy: 1.603 local terms energy: -598.879022 where: bonds (distance) C4'-P energy: -134.173 bonds (distance) P-C4' energy: -142.140 flat angles C4'-P-C4' energy: -145.793 flat angles P-C4'-P energy: -86.645 tors. eta vs tors. theta energy: -90.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1496.867797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.867797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.867797 (E_RNA) where: Base-Base interactions energy: -983.337 where: short stacking energy: -446.965 Base-Backbone interact. energy: 1.252 local terms energy: -514.782504 where: bonds (distance) C4'-P energy: -132.750 bonds (distance) P-C4' energy: -110.894 flat angles C4'-P-C4' energy: -138.482 flat angles P-C4'-P energy: -63.341 tors. eta vs tors. theta energy: -69.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1265.732394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.732394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.732394 (E_RNA) where: Base-Base interactions energy: -832.644 where: short stacking energy: -362.857 Base-Backbone interact. energy: 14.780 local terms energy: -447.868108 where: bonds (distance) C4'-P energy: -110.237 bonds (distance) P-C4' energy: -128.252 flat angles C4'-P-C4' energy: -116.522 flat angles P-C4'-P energy: -62.323 tors. eta vs tors. theta energy: -30.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2942.302628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.302628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.302628 (E_RNA) where: Base-Base interactions energy: -2062.155 where: short stacking energy: -861.027 Base-Backbone interact. energy: -4.966 local terms energy: -875.181701 where: bonds (distance) C4'-P energy: -170.030 bonds (distance) P-C4' energy: -168.622 flat angles C4'-P-C4' energy: -181.796 flat angles P-C4'-P energy: -125.953 tors. eta vs tors. theta energy: -228.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2789.523973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.523973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.523973 (E_RNA) where: Base-Base interactions energy: -1968.290 where: short stacking energy: -872.658 Base-Backbone interact. energy: 0.188 local terms energy: -821.421195 where: bonds (distance) C4'-P energy: -172.880 bonds (distance) P-C4' energy: -145.158 flat angles C4'-P-C4' energy: -168.376 flat angles P-C4'-P energy: -114.968 tors. eta vs tors. theta energy: -220.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2792.695869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.695869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.695869 (E_RNA) where: Base-Base interactions energy: -1967.370 where: short stacking energy: -859.248 Base-Backbone interact. energy: -5.672 local terms energy: -819.653352 where: bonds (distance) C4'-P energy: -136.669 bonds (distance) P-C4' energy: -155.599 flat angles C4'-P-C4' energy: -176.322 flat angles P-C4'-P energy: -118.918 tors. eta vs tors. theta energy: -232.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2624.338662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.338662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.338662 (E_RNA) where: Base-Base interactions energy: -1858.215 where: short stacking energy: -808.882 Base-Backbone interact. energy: -2.479 local terms energy: -763.644766 where: bonds (distance) C4'-P energy: -128.728 bonds (distance) P-C4' energy: -149.390 flat angles C4'-P-C4' energy: -172.170 flat angles P-C4'-P energy: -96.566 tors. eta vs tors. theta energy: -216.790 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: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2437.304829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.304829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.304829 (E_RNA) where: Base-Base interactions energy: -1673.469 where: short stacking energy: -751.047 Base-Backbone interact. energy: -3.907 local terms energy: -759.929482 where: bonds (distance) C4'-P energy: -132.879 bonds (distance) P-C4' energy: -155.447 flat angles C4'-P-C4' energy: -163.304 flat angles P-C4'-P energy: -98.139 tors. eta vs tors. theta energy: -210.161 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: 6, replica: 10 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2270.667701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.667701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.667701 (E_RNA) where: Base-Base interactions energy: -1593.602 where: short stacking energy: -676.941 Base-Backbone interact. energy: -2.939 local terms energy: -674.126601 where: bonds (distance) C4'-P energy: -125.380 bonds (distance) P-C4' energy: -137.152 flat angles C4'-P-C4' energy: -156.073 flat angles P-C4'-P energy: -104.591 tors. eta vs tors. theta energy: -150.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -2147.219391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.219391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.219391 (E_RNA) where: Base-Base interactions energy: -1483.824 where: short stacking energy: -634.038 Base-Backbone interact. energy: -6.781 local terms energy: -656.614962 where: bonds (distance) C4'-P energy: -112.321 bonds (distance) P-C4' energy: -155.090 flat angles C4'-P-C4' energy: -131.275 flat angles P-C4'-P energy: -94.115 tors. eta vs tors. theta energy: -163.814 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: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1843.379096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.379096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.379096 (E_RNA) where: Base-Base interactions energy: -1251.909 where: short stacking energy: -579.256 Base-Backbone interact. energy: 0.770 local terms energy: -592.240340 where: bonds (distance) C4'-P energy: -136.481 bonds (distance) P-C4' energy: -129.916 flat angles C4'-P-C4' energy: -142.623 flat angles P-C4'-P energy: -75.227 tors. eta vs tors. theta energy: -107.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1495.409179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.409179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.409179 (E_RNA) where: Base-Base interactions energy: -1011.214 where: short stacking energy: -441.304 Base-Backbone interact. energy: -1.250 local terms energy: -482.944869 where: bonds (distance) C4'-P energy: -118.825 bonds (distance) P-C4' energy: -118.855 flat angles C4'-P-C4' energy: -105.586 flat angles P-C4'-P energy: -76.558 tors. eta vs tors. theta energy: -63.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1255.664093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.664093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.664093 (E_RNA) where: Base-Base interactions energy: -775.466 where: short stacking energy: -389.804 Base-Backbone interact. energy: -0.966 local terms energy: -479.232687 where: bonds (distance) C4'-P energy: -135.756 bonds (distance) P-C4' energy: -140.224 flat angles C4'-P-C4' energy: -115.036 flat angles P-C4'-P energy: -64.545 tors. eta vs tors. theta energy: -23.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2914.754658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.754658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.754658 (E_RNA) where: Base-Base interactions energy: -2075.813 where: short stacking energy: -868.542 Base-Backbone interact. energy: 1.353 local terms energy: -840.294590 where: bonds (distance) C4'-P energy: -154.071 bonds (distance) P-C4' energy: -166.062 flat angles C4'-P-C4' energy: -183.881 flat angles P-C4'-P energy: -117.641 tors. eta vs tors. theta energy: -218.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2878.196126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.196126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.196126 (E_RNA) where: Base-Base interactions energy: -2029.870 where: short stacking energy: -872.994 Base-Backbone interact. energy: -2.496 local terms energy: -845.829563 where: bonds (distance) C4'-P energy: -157.322 bonds (distance) P-C4' energy: -153.141 flat angles C4'-P-C4' energy: -187.249 flat angles P-C4'-P energy: -121.579 tors. eta vs tors. theta energy: -226.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2775.026833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.026833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.026833 (E_RNA) where: Base-Base interactions energy: -1951.658 where: short stacking energy: -839.465 Base-Backbone interact. energy: -3.329 local terms energy: -820.039606 where: bonds (distance) C4'-P energy: -160.187 bonds (distance) P-C4' energy: -137.340 flat angles C4'-P-C4' energy: -180.211 flat angles P-C4'-P energy: -119.287 tors. eta vs tors. theta energy: -223.014 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: 111 Temperature: 1.050000 Total energy: -2662.966060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.966060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.966060 (E_RNA) where: Base-Base interactions energy: -1862.348 where: short stacking energy: -796.895 Base-Backbone interact. energy: -3.170 local terms energy: -797.448381 where: bonds (distance) C4'-P energy: -158.087 bonds (distance) P-C4' energy: -140.436 flat angles C4'-P-C4' energy: -177.571 flat angles P-C4'-P energy: -114.565 tors. eta vs tors. theta energy: -206.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2404.725396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.725396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.725396 (E_RNA) where: Base-Base interactions energy: -1677.090 where: short stacking energy: -723.958 Base-Backbone interact. energy: -4.751 local terms energy: -722.884840 where: bonds (distance) C4'-P energy: -143.962 bonds (distance) P-C4' energy: -133.576 flat angles C4'-P-C4' energy: -156.687 flat angles P-C4'-P energy: -93.384 tors. eta vs tors. theta energy: -195.276 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: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2234.396684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.396684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.396684 (E_RNA) where: Base-Base interactions energy: -1566.826 where: short stacking energy: -642.404 Base-Backbone interact. energy: -0.261 local terms energy: -667.310432 where: bonds (distance) C4'-P energy: -125.197 bonds (distance) P-C4' energy: -126.922 flat angles C4'-P-C4' energy: -147.647 flat angles P-C4'-P energy: -106.061 tors. eta vs tors. theta energy: -161.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2194.447790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.447790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.447790 (E_RNA) where: Base-Base interactions energy: -1545.131 where: short stacking energy: -648.875 Base-Backbone interact. energy: 5.574 local terms energy: -654.890449 where: bonds (distance) C4'-P energy: -114.917 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -146.293 flat angles P-C4'-P energy: -84.194 tors. eta vs tors. theta energy: -163.815 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: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1859.658780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.658780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.658780 (E_RNA) where: Base-Base interactions energy: -1227.305 where: short stacking energy: -520.513 Base-Backbone interact. energy: -1.196 local terms energy: -631.157382 where: bonds (distance) C4'-P energy: -147.199 bonds (distance) P-C4' energy: -133.491 flat angles C4'-P-C4' energy: -142.853 flat angles P-C4'-P energy: -92.610 tors. eta vs tors. theta energy: -115.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1505.441671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.441671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.441671 (E_RNA) where: Base-Base interactions energy: -942.082 where: short stacking energy: -435.131 Base-Backbone interact. energy: 1.082 local terms energy: -564.442270 where: bonds (distance) C4'-P energy: -136.837 bonds (distance) P-C4' energy: -136.927 flat angles C4'-P-C4' energy: -139.294 flat angles P-C4'-P energy: -75.860 tors. eta vs tors. theta energy: -75.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1304.859824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.859824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.859824 (E_RNA) where: Base-Base interactions energy: -825.059 where: short stacking energy: -380.782 Base-Backbone interact. energy: 3.314 local terms energy: -483.114748 where: bonds (distance) C4'-P energy: -99.983 bonds (distance) P-C4' energy: -129.912 flat angles C4'-P-C4' energy: -123.560 flat angles P-C4'-P energy: -83.634 tors. eta vs tors. theta energy: -46.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2907.183423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.183423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.183423 (E_RNA) where: Base-Base interactions energy: -2049.799 where: short stacking energy: -874.877 Base-Backbone interact. energy: -2.620 local terms energy: -854.763995 where: bonds (distance) C4'-P energy: -167.535 bonds (distance) P-C4' energy: -154.835 flat angles C4'-P-C4' energy: -184.980 flat angles P-C4'-P energy: -129.877 tors. eta vs tors. theta energy: -217.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2838.403211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.403211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.403211 (E_RNA) where: Base-Base interactions energy: -2001.501 where: short stacking energy: -882.364 Base-Backbone interact. energy: -1.193 local terms energy: -835.709659 where: bonds (distance) C4'-P energy: -157.438 bonds (distance) P-C4' energy: -142.325 flat angles C4'-P-C4' energy: -189.292 flat angles P-C4'-P energy: -114.021 tors. eta vs tors. theta energy: -232.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2775.527980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.527980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.527980 (E_RNA) where: Base-Base interactions energy: -1949.422 where: short stacking energy: -847.464 Base-Backbone interact. energy: -3.472 local terms energy: -822.634156 where: bonds (distance) C4'-P energy: -159.319 bonds (distance) P-C4' energy: -161.037 flat angles C4'-P-C4' energy: -160.058 flat angles P-C4'-P energy: -111.738 tors. eta vs tors. theta energy: -230.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2677.667971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.667971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.667971 (E_RNA) where: Base-Base interactions energy: -1899.345 where: short stacking energy: -791.658 Base-Backbone interact. energy: 0.507 local terms energy: -778.829682 where: bonds (distance) C4'-P energy: -132.823 bonds (distance) P-C4' energy: -135.314 flat angles C4'-P-C4' energy: -173.283 flat angles P-C4'-P energy: -122.126 tors. eta vs tors. theta energy: -215.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2422.719928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.719928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.719928 (E_RNA) where: Base-Base interactions energy: -1678.706 where: short stacking energy: -759.817 Base-Backbone interact. energy: -0.017 local terms energy: -743.997279 where: bonds (distance) C4'-P energy: -142.851 bonds (distance) P-C4' energy: -157.472 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -99.245 tors. eta vs tors. theta energy: -196.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2259.650779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.650779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.650779 (E_RNA) where: Base-Base interactions energy: -1557.144 where: short stacking energy: -676.914 Base-Backbone interact. energy: -3.585 local terms energy: -698.921493 where: bonds (distance) C4'-P energy: -124.825 bonds (distance) P-C4' energy: -149.022 flat angles C4'-P-C4' energy: -160.038 flat angles P-C4'-P energy: -105.616 tors. eta vs tors. theta energy: -159.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2199.396856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.396856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.396856 (E_RNA) where: Base-Base interactions energy: -1566.047 where: short stacking energy: -624.983 Base-Backbone interact. energy: -1.919 local terms energy: -631.430120 where: bonds (distance) C4'-P energy: -122.253 bonds (distance) P-C4' energy: -124.790 flat angles C4'-P-C4' energy: -153.767 flat angles P-C4'-P energy: -78.766 tors. eta vs tors. theta energy: -151.854 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: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1830.806208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.806208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.806208 (E_RNA) where: Base-Base interactions energy: -1243.033 where: short stacking energy: -579.621 Base-Backbone interact. energy: 1.087 local terms energy: -588.859950 where: bonds (distance) C4'-P energy: -124.314 bonds (distance) P-C4' energy: -116.374 flat angles C4'-P-C4' energy: -152.316 flat angles P-C4'-P energy: -70.260 tors. eta vs tors. theta energy: -125.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1553.790954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.790954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.790954 (E_RNA) where: Base-Base interactions energy: -1009.341 where: short stacking energy: -472.875 Base-Backbone interact. energy: -2.852 local terms energy: -541.597737 where: bonds (distance) C4'-P energy: -115.104 bonds (distance) P-C4' energy: -128.525 flat angles C4'-P-C4' energy: -128.727 flat angles P-C4'-P energy: -78.276 tors. eta vs tors. theta energy: -90.966 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: 6 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1246.361047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.361047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.361047 (E_RNA) where: Base-Base interactions energy: -796.604 where: short stacking energy: -409.344 Base-Backbone interact. energy: -2.640 local terms energy: -447.117699 where: bonds (distance) C4'-P energy: -110.926 bonds (distance) P-C4' energy: -96.568 flat angles C4'-P-C4' energy: -115.935 flat angles P-C4'-P energy: -78.504 tors. eta vs tors. theta energy: -45.185 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: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2927.624722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.624722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.624722 (E_RNA) where: Base-Base interactions energy: -2110.791 where: short stacking energy: -861.766 Base-Backbone interact. energy: -2.959 local terms energy: -813.874366 where: bonds (distance) C4'-P energy: -140.793 bonds (distance) P-C4' energy: -158.497 flat angles C4'-P-C4' energy: -172.806 flat angles P-C4'-P energy: -111.666 tors. eta vs tors. theta energy: -230.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2784.205932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.205932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.205932 (E_RNA) where: Base-Base interactions energy: -1974.594 where: short stacking energy: -833.092 Base-Backbone interact. energy: 1.105 local terms energy: -810.717815 where: bonds (distance) C4'-P energy: -159.438 bonds (distance) P-C4' energy: -140.589 flat angles C4'-P-C4' energy: -170.193 flat angles P-C4'-P energy: -127.254 tors. eta vs tors. theta energy: -213.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2762.557508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.557508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.557508 (E_RNA) where: Base-Base interactions energy: -1947.069 where: short stacking energy: -842.892 Base-Backbone interact. energy: -3.957 local terms energy: -811.531590 where: bonds (distance) C4'-P energy: -163.871 bonds (distance) P-C4' energy: -144.549 flat angles C4'-P-C4' energy: -163.026 flat angles P-C4'-P energy: -120.914 tors. eta vs tors. theta energy: -219.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2662.728803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.728803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.728803 (E_RNA) where: Base-Base interactions energy: -1862.631 where: short stacking energy: -796.015 Base-Backbone interact. energy: -4.945 local terms energy: -795.152715 where: bonds (distance) C4'-P energy: -148.718 bonds (distance) P-C4' energy: -152.150 flat angles C4'-P-C4' energy: -178.762 flat angles P-C4'-P energy: -110.515 tors. eta vs tors. theta energy: -205.008 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: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2409.383847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.383847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.383847 (E_RNA) where: Base-Base interactions energy: -1649.940 where: short stacking energy: -722.799 Base-Backbone interact. energy: -4.657 local terms energy: -754.787417 where: bonds (distance) C4'-P energy: -135.894 bonds (distance) P-C4' energy: -153.654 flat angles C4'-P-C4' energy: -171.001 flat angles P-C4'-P energy: -95.663 tors. eta vs tors. theta energy: -198.576 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: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2276.615159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.615159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.615159 (E_RNA) where: Base-Base interactions energy: -1590.174 where: short stacking energy: -647.474 Base-Backbone interact. energy: -5.135 local terms energy: -681.306669 where: bonds (distance) C4'-P energy: -133.029 bonds (distance) P-C4' energy: -150.303 flat angles C4'-P-C4' energy: -143.294 flat angles P-C4'-P energy: -96.232 tors. eta vs tors. theta energy: -158.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -2232.040243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.040243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.040243 (E_RNA) where: Base-Base interactions energy: -1538.657 where: short stacking energy: -673.067 Base-Backbone interact. energy: -0.941 local terms energy: -692.441996 where: bonds (distance) C4'-P energy: -127.012 bonds (distance) P-C4' energy: -148.693 flat angles C4'-P-C4' energy: -160.650 flat angles P-C4'-P energy: -93.913 tors. eta vs tors. theta energy: -162.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1870.076738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.076738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.076738 (E_RNA) where: Base-Base interactions energy: -1264.828 where: short stacking energy: -574.681 Base-Backbone interact. energy: 3.893 local terms energy: -609.141218 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -128.910 flat angles C4'-P-C4' energy: -152.905 flat angles P-C4'-P energy: -72.202 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: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1509.544849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.544849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.544849 (E_RNA) where: Base-Base interactions energy: -954.251 where: short stacking energy: -458.667 Base-Backbone interact. energy: -0.092 local terms energy: -555.201375 where: bonds (distance) C4'-P energy: -128.441 bonds (distance) P-C4' energy: -126.899 flat angles C4'-P-C4' energy: -139.053 flat angles P-C4'-P energy: -95.442 tors. eta vs tors. theta energy: -65.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1237.269572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.269572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.269572 (E_RNA) where: Base-Base interactions energy: -744.063 where: short stacking energy: -361.675 Base-Backbone interact. energy: -1.660 local terms energy: -491.546518 where: bonds (distance) C4'-P energy: -115.663 bonds (distance) P-C4' energy: -147.981 flat angles C4'-P-C4' energy: -122.084 flat angles P-C4'-P energy: -65.173 tors. eta vs tors. theta energy: -40.645 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: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2904.118509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.118509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.118509 (E_RNA) where: Base-Base interactions energy: -2059.643 where: short stacking energy: -849.483 Base-Backbone interact. energy: -6.381 local terms energy: -838.094229 where: bonds (distance) C4'-P energy: -161.991 bonds (distance) P-C4' energy: -168.395 flat angles C4'-P-C4' energy: -172.495 flat angles P-C4'-P energy: -112.907 tors. eta vs tors. theta energy: -222.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2800.060165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.060165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.060165 (E_RNA) where: Base-Base interactions energy: -1964.497 where: short stacking energy: -838.425 Base-Backbone interact. energy: -4.599 local terms energy: -830.964702 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -165.614 flat angles C4'-P-C4' energy: -181.178 flat angles P-C4'-P energy: -121.753 tors. eta vs tors. theta energy: -218.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2755.293577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.293577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.293577 (E_RNA) where: Base-Base interactions energy: -1968.978 where: short stacking energy: -845.137 Base-Backbone interact. energy: -0.966 local terms energy: -785.349485 where: bonds (distance) C4'-P energy: -137.730 bonds (distance) P-C4' energy: -137.249 flat angles C4'-P-C4' energy: -173.544 flat angles P-C4'-P energy: -125.001 tors. eta vs tors. theta energy: -211.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2651.276843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.276843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.276843 (E_RNA) where: Base-Base interactions energy: -1880.087 where: short stacking energy: -786.352 Base-Backbone interact. energy: -7.247 local terms energy: -763.942324 where: bonds (distance) C4'-P energy: -155.350 bonds (distance) P-C4' energy: -134.385 flat angles C4'-P-C4' energy: -167.473 flat angles P-C4'-P energy: -99.171 tors. eta vs tors. theta energy: -207.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2412.600149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.600149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.600149 (E_RNA) where: Base-Base interactions energy: -1658.945 where: short stacking energy: -739.493 Base-Backbone interact. energy: -1.905 local terms energy: -751.750452 where: bonds (distance) C4'-P energy: -142.589 bonds (distance) P-C4' energy: -147.559 flat angles C4'-P-C4' energy: -158.925 flat angles P-C4'-P energy: -107.274 tors. eta vs tors. theta energy: -195.404 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: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2259.619796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.619796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.619796 (E_RNA) where: Base-Base interactions energy: -1564.576 where: short stacking energy: -683.065 Base-Backbone interact. energy: 1.726 local terms energy: -696.769697 where: bonds (distance) C4'-P energy: -138.854 bonds (distance) P-C4' energy: -129.562 flat angles C4'-P-C4' energy: -152.136 flat angles P-C4'-P energy: -103.711 tors. eta vs tors. theta energy: -172.506 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: 114 Temperature: 1.200000 Total energy: -2054.140119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.140119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.140119 (E_RNA) where: Base-Base interactions energy: -1384.627 where: short stacking energy: -607.154 Base-Backbone interact. energy: -1.091 local terms energy: -668.422296 where: bonds (distance) C4'-P energy: -130.889 bonds (distance) P-C4' energy: -142.832 flat angles C4'-P-C4' energy: -153.208 flat angles P-C4'-P energy: -84.914 tors. eta vs tors. theta energy: -156.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1851.656868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.656868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.656868 (E_RNA) where: Base-Base interactions energy: -1243.735 where: short stacking energy: -583.258 Base-Backbone interact. energy: -0.599 local terms energy: -607.323263 where: bonds (distance) C4'-P energy: -142.054 bonds (distance) P-C4' energy: -137.243 flat angles C4'-P-C4' energy: -126.208 flat angles P-C4'-P energy: -74.216 tors. eta vs tors. theta energy: -127.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1442.171267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.171267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.171267 (E_RNA) where: Base-Base interactions energy: -914.945 where: short stacking energy: -419.394 Base-Backbone interact. energy: -0.467 local terms energy: -526.759594 where: bonds (distance) C4'-P energy: -127.548 bonds (distance) P-C4' energy: -128.999 flat angles C4'-P-C4' energy: -139.205 flat angles P-C4'-P energy: -71.686 tors. eta vs tors. theta energy: -59.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1303.876022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.876022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.876022 (E_RNA) where: Base-Base interactions energy: -776.582 where: short stacking energy: -424.153 Base-Backbone interact. energy: 4.375 local terms energy: -531.668742 where: bonds (distance) C4'-P energy: -130.278 bonds (distance) P-C4' energy: -137.941 flat angles C4'-P-C4' energy: -128.885 flat angles P-C4'-P energy: -63.244 tors. eta vs tors. theta energy: -71.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2889.832373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.832373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.832373 (E_RNA) where: Base-Base interactions energy: -2056.856 where: short stacking energy: -868.470 Base-Backbone interact. energy: -4.967 local terms energy: -828.008627 where: bonds (distance) C4'-P energy: -156.883 bonds (distance) P-C4' energy: -150.053 flat angles C4'-P-C4' energy: -171.884 flat angles P-C4'-P energy: -123.301 tors. eta vs tors. theta energy: -225.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2840.054258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.054258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.054258 (E_RNA) where: Base-Base interactions energy: -2013.322 where: short stacking energy: -881.540 Base-Backbone interact. energy: -0.620 local terms energy: -826.111746 where: bonds (distance) C4'-P energy: -159.159 bonds (distance) P-C4' energy: -152.853 flat angles C4'-P-C4' energy: -174.687 flat angles P-C4'-P energy: -119.257 tors. eta vs tors. theta energy: -220.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2812.014174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.014174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.014174 (E_RNA) where: Base-Base interactions energy: -1996.165 where: short stacking energy: -864.215 Base-Backbone interact. energy: -0.164 local terms energy: -815.685663 where: bonds (distance) C4'-P energy: -149.245 bonds (distance) P-C4' energy: -148.232 flat angles C4'-P-C4' energy: -183.897 flat angles P-C4'-P energy: -104.668 tors. eta vs tors. theta energy: -229.644 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: 115 Temperature: 1.050000 Total energy: -2672.329893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.329893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.329893 (E_RNA) where: Base-Base interactions energy: -1890.358 where: short stacking energy: -808.374 Base-Backbone interact. energy: -0.685 local terms energy: -781.286898 where: bonds (distance) C4'-P energy: -147.709 bonds (distance) P-C4' energy: -167.765 flat angles C4'-P-C4' energy: -154.183 flat angles P-C4'-P energy: -121.313 tors. eta vs tors. theta energy: -190.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2432.235964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.235964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.235964 (E_RNA) where: Base-Base interactions energy: -1670.139 where: short stacking energy: -729.650 Base-Backbone interact. energy: -4.205 local terms energy: -757.892080 where: bonds (distance) C4'-P energy: -135.316 bonds (distance) P-C4' energy: -157.052 flat angles C4'-P-C4' energy: -166.665 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: -205.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2247.190172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.190172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.190172 (E_RNA) where: Base-Base interactions energy: -1551.073 where: short stacking energy: -669.738 Base-Backbone interact. energy: 2.404 local terms energy: -698.521544 where: bonds (distance) C4'-P energy: -152.908 bonds (distance) P-C4' energy: -141.704 flat angles C4'-P-C4' energy: -132.443 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -177.013 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: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2114.841483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.841483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.841483 (E_RNA) where: Base-Base interactions energy: -1434.201 where: short stacking energy: -637.502 Base-Backbone interact. energy: -1.195 local terms energy: -679.445401 where: bonds (distance) C4'-P energy: -142.578 bonds (distance) P-C4' energy: -145.230 flat angles C4'-P-C4' energy: -148.873 flat angles P-C4'-P energy: -87.340 tors. eta vs tors. theta energy: -155.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1813.407966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.407966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.407966 (E_RNA) where: Base-Base interactions energy: -1196.770 where: short stacking energy: -540.611 Base-Backbone interact. energy: -1.633 local terms energy: -615.004098 where: bonds (distance) C4'-P energy: -125.536 bonds (distance) P-C4' energy: -137.715 flat angles C4'-P-C4' energy: -143.960 flat angles P-C4'-P energy: -93.287 tors. eta vs tors. theta energy: -114.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1440.505221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.505221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.505221 (E_RNA) where: Base-Base interactions energy: -929.868 where: short stacking energy: -399.880 Base-Backbone interact. energy: -2.701 local terms energy: -507.936327 where: bonds (distance) C4'-P energy: -110.745 bonds (distance) P-C4' energy: -139.633 flat angles C4'-P-C4' energy: -135.969 flat angles P-C4'-P energy: -62.492 tors. eta vs tors. theta energy: -59.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1318.401631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.401631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.401631 (E_RNA) where: Base-Base interactions energy: -817.355 where: short stacking energy: -361.297 Base-Backbone interact. energy: -2.383 local terms energy: -498.663503 where: bonds (distance) C4'-P energy: -135.535 bonds (distance) P-C4' energy: -130.289 flat angles C4'-P-C4' energy: -125.494 flat angles P-C4'-P energy: -69.494 tors. eta vs tors. theta energy: -37.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2910.825833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.825833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.825833 (E_RNA) where: Base-Base interactions energy: -2044.783 where: short stacking energy: -868.184 Base-Backbone interact. energy: -0.900 local terms energy: -865.143127 where: bonds (distance) C4'-P energy: -155.823 bonds (distance) P-C4' energy: -175.249 flat angles C4'-P-C4' energy: -182.259 flat angles P-C4'-P energy: -124.131 tors. eta vs tors. theta energy: -227.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2864.465044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.465044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.465044 (E_RNA) where: Base-Base interactions energy: -2026.172 where: short stacking energy: -868.087 Base-Backbone interact. energy: -5.289 local terms energy: -833.003361 where: bonds (distance) C4'-P energy: -148.305 bonds (distance) P-C4' energy: -157.529 flat angles C4'-P-C4' energy: -170.735 flat angles P-C4'-P energy: -119.124 tors. eta vs tors. theta energy: -237.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2771.413940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.413940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.413940 (E_RNA) where: Base-Base interactions energy: -1974.989 where: short stacking energy: -829.352 Base-Backbone interact. energy: -1.257 local terms energy: -795.168565 where: bonds (distance) C4'-P energy: -148.332 bonds (distance) P-C4' energy: -145.564 flat angles C4'-P-C4' energy: -179.160 flat angles P-C4'-P energy: -110.818 tors. eta vs tors. theta energy: -211.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2657.005064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.005064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.005064 (E_RNA) where: Base-Base interactions energy: -1897.022 where: short stacking energy: -785.940 Base-Backbone interact. energy: 0.641 local terms energy: -760.624463 where: bonds (distance) C4'-P energy: -139.774 bonds (distance) P-C4' energy: -148.484 flat angles C4'-P-C4' energy: -168.500 flat angles P-C4'-P energy: -112.252 tors. eta vs tors. theta energy: -191.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2453.494224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.494224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.494224 (E_RNA) where: Base-Base interactions energy: -1715.457 where: short stacking energy: -742.990 Base-Backbone interact. energy: -2.013 local terms energy: -736.023995 where: bonds (distance) C4'-P energy: -121.440 bonds (distance) P-C4' energy: -149.537 flat angles C4'-P-C4' energy: -160.580 flat angles P-C4'-P energy: -100.312 tors. eta vs tors. theta energy: -204.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2316.558878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.558878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.558878 (E_RNA) where: Base-Base interactions energy: -1599.266 where: short stacking energy: -681.971 Base-Backbone interact. energy: -4.635 local terms energy: -712.658464 where: bonds (distance) C4'-P energy: -155.092 bonds (distance) P-C4' energy: -129.046 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -99.695 tors. eta vs tors. theta energy: -178.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2097.059770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.059770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.059770 (E_RNA) where: Base-Base interactions energy: -1444.919 where: short stacking energy: -639.513 Base-Backbone interact. energy: -1.377 local terms energy: -650.763858 where: bonds (distance) C4'-P energy: -131.101 bonds (distance) P-C4' energy: -148.928 flat angles C4'-P-C4' energy: -136.991 flat angles P-C4'-P energy: -87.702 tors. eta vs tors. theta energy: -146.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1848.542881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.542881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.542881 (E_RNA) where: Base-Base interactions energy: -1260.192 where: short stacking energy: -562.473 Base-Backbone interact. energy: -2.570 local terms energy: -585.780289 where: bonds (distance) C4'-P energy: -131.447 bonds (distance) P-C4' energy: -140.036 flat angles C4'-P-C4' energy: -137.737 flat angles P-C4'-P energy: -67.032 tors. eta vs tors. theta energy: -109.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1476.142117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.142117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.142117 (E_RNA) where: Base-Base interactions energy: -982.235 where: short stacking energy: -400.857 Base-Backbone interact. energy: 4.479 local terms energy: -498.387040 where: bonds (distance) C4'-P energy: -126.701 bonds (distance) P-C4' energy: -112.348 flat angles C4'-P-C4' energy: -130.636 flat angles P-C4'-P energy: -74.591 tors. eta vs tors. theta energy: -54.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1324.113845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.113845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.113845 (E_RNA) where: Base-Base interactions energy: -849.071 where: short stacking energy: -413.342 Base-Backbone interact. energy: 8.405 local terms energy: -483.448025 where: bonds (distance) C4'-P energy: -118.488 bonds (distance) P-C4' energy: -115.603 flat angles C4'-P-C4' energy: -132.740 flat angles P-C4'-P energy: -61.444 tors. eta vs tors. theta energy: -55.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2892.448167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.448167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.448167 (E_RNA) where: Base-Base interactions energy: -2042.383 where: short stacking energy: -853.703 Base-Backbone interact. energy: -2.526 local terms energy: -847.539393 where: bonds (distance) C4'-P energy: -161.957 bonds (distance) P-C4' energy: -155.969 flat angles C4'-P-C4' energy: -187.422 flat angles P-C4'-P energy: -119.653 tors. eta vs tors. theta energy: -222.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2830.411425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.411425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.411425 (E_RNA) where: Base-Base interactions energy: -1969.141 where: short stacking energy: -844.831 Base-Backbone interact. energy: -2.267 local terms energy: -859.003276 where: bonds (distance) C4'-P energy: -156.726 bonds (distance) P-C4' energy: -158.183 flat angles C4'-P-C4' energy: -187.007 flat angles P-C4'-P energy: -128.075 tors. eta vs tors. theta energy: -229.013 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: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2778.570365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.570365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.570365 (E_RNA) where: Base-Base interactions energy: -1936.543 where: short stacking energy: -855.302 Base-Backbone interact. energy: -4.415 local terms energy: -837.612758 where: bonds (distance) C4'-P energy: -154.694 bonds (distance) P-C4' energy: -161.685 flat angles C4'-P-C4' energy: -172.127 flat angles P-C4'-P energy: -116.047 tors. eta vs tors. theta energy: -233.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2639.082997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.082997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.082997 (E_RNA) where: Base-Base interactions energy: -1885.915 where: short stacking energy: -776.845 Base-Backbone interact. energy: -4.471 local terms energy: -748.696777 where: bonds (distance) C4'-P energy: -128.809 bonds (distance) P-C4' energy: -150.133 flat angles C4'-P-C4' energy: -168.471 flat angles P-C4'-P energy: -105.333 tors. eta vs tors. theta energy: -195.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2440.439707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.439707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.439707 (E_RNA) where: Base-Base interactions energy: -1721.550 where: short stacking energy: -783.613 Base-Backbone interact. energy: -3.909 local terms energy: -714.980707 where: bonds (distance) C4'-P energy: -140.509 bonds (distance) P-C4' energy: -134.258 flat angles C4'-P-C4' energy: -155.857 flat angles P-C4'-P energy: -74.941 tors. eta vs tors. theta energy: -209.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2342.272321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.272321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.272321 (E_RNA) where: Base-Base interactions energy: -1622.663 where: short stacking energy: -710.281 Base-Backbone interact. energy: -4.087 local terms energy: -715.522190 where: bonds (distance) C4'-P energy: -130.590 bonds (distance) P-C4' energy: -152.860 flat angles C4'-P-C4' energy: -144.986 flat angles P-C4'-P energy: -107.378 tors. eta vs tors. theta energy: -179.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -2117.456136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.456136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.456136 (E_RNA) where: Base-Base interactions energy: -1484.963 where: short stacking energy: -665.941 Base-Backbone interact. energy: 1.352 local terms energy: -633.845446 where: bonds (distance) C4'-P energy: -119.955 bonds (distance) P-C4' energy: -130.772 flat angles C4'-P-C4' energy: -139.189 flat angles P-C4'-P energy: -89.411 tors. eta vs tors. theta energy: -154.518 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: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1773.914384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.914384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.914384 (E_RNA) where: Base-Base interactions energy: -1196.081 where: short stacking energy: -539.306 Base-Backbone interact. energy: 3.951 local terms energy: -581.784517 where: bonds (distance) C4'-P energy: -118.340 bonds (distance) P-C4' energy: -125.002 flat angles C4'-P-C4' energy: -142.983 flat angles P-C4'-P energy: -93.128 tors. eta vs tors. theta energy: -102.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1590.900345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.900345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.900345 (E_RNA) where: Base-Base interactions energy: -1059.580 where: short stacking energy: -494.240 Base-Backbone interact. energy: 1.112 local terms energy: -532.432626 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -137.507 flat angles C4'-P-C4' energy: -132.607 flat angles P-C4'-P energy: -76.270 tors. eta vs tors. theta energy: -94.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1320.363442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.363442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.363442 (E_RNA) where: Base-Base interactions energy: -842.358 where: short stacking energy: -370.670 Base-Backbone interact. energy: -3.250 local terms energy: -474.755392 where: bonds (distance) C4'-P energy: -118.704 bonds (distance) P-C4' energy: -114.705 flat angles C4'-P-C4' energy: -130.770 flat angles P-C4'-P energy: -72.827 tors. eta vs tors. theta energy: -37.749 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: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2891.255512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.255512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.255512 (E_RNA) where: Base-Base interactions energy: -2044.253 where: short stacking energy: -865.832 Base-Backbone interact. energy: -4.416 local terms energy: -842.586928 where: bonds (distance) C4'-P energy: -139.661 bonds (distance) P-C4' energy: -163.560 flat angles C4'-P-C4' energy: -187.155 flat angles P-C4'-P energy: -129.431 tors. eta vs tors. theta energy: -222.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2787.279474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.279474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.279474 (E_RNA) where: Base-Base interactions energy: -1973.003 where: short stacking energy: -848.582 Base-Backbone interact. energy: -3.612 local terms energy: -810.665009 where: bonds (distance) C4'-P energy: -149.090 bonds (distance) P-C4' energy: -150.767 flat angles C4'-P-C4' energy: -176.942 flat angles P-C4'-P energy: -109.291 tors. eta vs tors. theta energy: -224.575 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: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2791.358924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.358924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.358924 (E_RNA) where: Base-Base interactions energy: -1953.329 where: short stacking energy: -824.888 Base-Backbone interact. energy: -5.903 local terms energy: -832.127385 where: bonds (distance) C4'-P energy: -141.528 bonds (distance) P-C4' energy: -164.982 flat angles C4'-P-C4' energy: -180.311 flat angles P-C4'-P energy: -124.955 tors. eta vs tors. theta energy: -220.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2643.894163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.894163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.894163 (E_RNA) where: Base-Base interactions energy: -1898.807 where: short stacking energy: -795.130 Base-Backbone interact. energy: -4.276 local terms energy: -740.811406 where: bonds (distance) C4'-P energy: -125.460 bonds (distance) P-C4' energy: -147.952 flat angles C4'-P-C4' energy: -157.072 flat angles P-C4'-P energy: -92.584 tors. eta vs tors. theta energy: -217.743 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: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2447.690459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.690459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.690459 (E_RNA) where: Base-Base interactions energy: -1689.936 where: short stacking energy: -749.205 Base-Backbone interact. energy: -6.385 local terms energy: -751.368901 where: bonds (distance) C4'-P energy: -137.442 bonds (distance) P-C4' energy: -142.359 flat angles C4'-P-C4' energy: -163.425 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -199.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2268.216572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.216572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.216572 (E_RNA) where: Base-Base interactions energy: -1559.592 where: short stacking energy: -696.891 Base-Backbone interact. energy: -2.691 local terms energy: -705.933651 where: bonds (distance) C4'-P energy: -121.780 bonds (distance) P-C4' energy: -147.205 flat angles C4'-P-C4' energy: -152.978 flat angles P-C4'-P energy: -107.721 tors. eta vs tors. theta energy: -176.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2093.696169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.696169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.696169 (E_RNA) where: Base-Base interactions energy: -1459.605 where: short stacking energy: -645.895 Base-Backbone interact. energy: -0.824 local terms energy: -633.266585 where: bonds (distance) C4'-P energy: -113.742 bonds (distance) P-C4' energy: -131.281 flat angles C4'-P-C4' energy: -131.858 flat angles P-C4'-P energy: -94.549 tors. eta vs tors. theta energy: -161.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1725.762150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.762150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.762150 (E_RNA) where: Base-Base interactions energy: -1140.225 where: short stacking energy: -519.903 Base-Backbone interact. energy: -3.327 local terms energy: -582.210651 where: bonds (distance) C4'-P energy: -121.926 bonds (distance) P-C4' energy: -140.571 flat angles C4'-P-C4' energy: -147.817 flat angles P-C4'-P energy: -85.306 tors. eta vs tors. theta energy: -86.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1555.400523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.400523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.400523 (E_RNA) where: Base-Base interactions energy: -1002.194 where: short stacking energy: -449.582 Base-Backbone interact. energy: -4.641 local terms energy: -548.565971 where: bonds (distance) C4'-P energy: -131.956 bonds (distance) P-C4' energy: -123.789 flat angles C4'-P-C4' energy: -150.435 flat angles P-C4'-P energy: -73.196 tors. eta vs tors. theta energy: -69.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1371.127840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.127840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.127840 (E_RNA) where: Base-Base interactions energy: -885.653 where: short stacking energy: -423.753 Base-Backbone interact. energy: 1.010 local terms energy: -486.484667 where: bonds (distance) C4'-P energy: -112.445 bonds (distance) P-C4' energy: -131.406 flat angles C4'-P-C4' energy: -110.720 flat angles P-C4'-P energy: -71.191 tors. eta vs tors. theta energy: -60.722 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: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2875.700096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.700096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.700096 (E_RNA) where: Base-Base interactions energy: -2036.383 where: short stacking energy: -858.488 Base-Backbone interact. energy: -6.838 local terms energy: -832.479103 where: bonds (distance) C4'-P energy: -172.677 bonds (distance) P-C4' energy: -160.959 flat angles C4'-P-C4' energy: -166.802 flat angles P-C4'-P energy: -107.675 tors. eta vs tors. theta energy: -224.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2822.030940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.030940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.030940 (E_RNA) where: Base-Base interactions energy: -1975.058 where: short stacking energy: -837.987 Base-Backbone interact. energy: -2.093 local terms energy: -844.879699 where: bonds (distance) C4'-P energy: -168.568 bonds (distance) P-C4' energy: -180.602 flat angles C4'-P-C4' energy: -168.053 flat angles P-C4'-P energy: -107.310 tors. eta vs tors. theta energy: -220.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2773.109732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.109732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.109732 (E_RNA) where: Base-Base interactions energy: -1969.685 where: short stacking energy: -842.112 Base-Backbone interact. energy: -2.909 local terms energy: -800.515608 where: bonds (distance) C4'-P energy: -132.591 bonds (distance) P-C4' energy: -157.732 flat angles C4'-P-C4' energy: -178.374 flat angles P-C4'-P energy: -104.507 tors. eta vs tors. theta energy: -227.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2626.699482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.699482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.699482 (E_RNA) where: Base-Base interactions energy: -1863.449 where: short stacking energy: -769.579 Base-Backbone interact. energy: -3.419 local terms energy: -759.831436 where: bonds (distance) C4'-P energy: -141.983 bonds (distance) P-C4' energy: -146.087 flat angles C4'-P-C4' energy: -166.516 flat angles P-C4'-P energy: -105.036 tors. eta vs tors. theta energy: -200.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2392.657672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.657672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.657672 (E_RNA) where: Base-Base interactions energy: -1674.575 where: short stacking energy: -739.235 Base-Backbone interact. energy: -2.907 local terms energy: -715.175153 where: bonds (distance) C4'-P energy: -122.838 bonds (distance) P-C4' energy: -120.613 flat angles C4'-P-C4' energy: -158.386 flat angles P-C4'-P energy: -116.144 tors. eta vs tors. theta energy: -197.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2304.787230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.787230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.787230 (E_RNA) where: Base-Base interactions energy: -1590.279 where: short stacking energy: -662.898 Base-Backbone interact. energy: 9.931 local terms energy: -724.439094 where: bonds (distance) C4'-P energy: -146.971 bonds (distance) P-C4' energy: -129.626 flat angles C4'-P-C4' energy: -167.039 flat angles P-C4'-P energy: -100.389 tors. eta vs tors. theta energy: -180.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2060.967736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.967736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.967736 (E_RNA) where: Base-Base interactions energy: -1413.494 where: short stacking energy: -610.766 Base-Backbone interact. energy: -0.158 local terms energy: -647.315457 where: bonds (distance) C4'-P energy: -136.365 bonds (distance) P-C4' energy: -118.552 flat angles C4'-P-C4' energy: -148.235 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: -151.993 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: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1783.385096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.385096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.385096 (E_RNA) where: Base-Base interactions energy: -1207.334 where: short stacking energy: -560.177 Base-Backbone interact. energy: 5.826 local terms energy: -581.876616 where: bonds (distance) C4'-P energy: -128.548 bonds (distance) P-C4' energy: -115.615 flat angles C4'-P-C4' energy: -140.107 flat angles P-C4'-P energy: -84.765 tors. eta vs tors. theta energy: -112.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1595.971276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.971276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.971276 (E_RNA) where: Base-Base interactions energy: -1036.623 where: short stacking energy: -486.340 Base-Backbone interact. energy: 0.412 local terms energy: -559.760890 where: bonds (distance) C4'-P energy: -114.563 bonds (distance) P-C4' energy: -123.761 flat angles C4'-P-C4' energy: -141.257 flat angles P-C4'-P energy: -73.297 tors. eta vs tors. theta energy: -106.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1327.680778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.680778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.680778 (E_RNA) where: Base-Base interactions energy: -796.605 where: short stacking energy: -384.318 Base-Backbone interact. energy: 6.046 local terms energy: -537.121108 where: bonds (distance) C4'-P energy: -137.169 bonds (distance) P-C4' energy: -152.903 flat angles C4'-P-C4' energy: -127.007 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: -63.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2876.842809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.842809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.842809 (E_RNA) where: Base-Base interactions energy: -2037.917 where: short stacking energy: -850.007 Base-Backbone interact. energy: -6.697 local terms energy: -832.228823 where: bonds (distance) C4'-P energy: -160.624 bonds (distance) P-C4' energy: -157.995 flat angles C4'-P-C4' energy: -180.887 flat angles P-C4'-P energy: -114.175 tors. eta vs tors. theta energy: -218.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2839.416373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.416373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.416373 (E_RNA) where: Base-Base interactions energy: -2000.451 where: short stacking energy: -854.567 Base-Backbone interact. energy: -3.273 local terms energy: -835.692464 where: bonds (distance) C4'-P energy: -148.909 bonds (distance) P-C4' energy: -159.018 flat angles C4'-P-C4' energy: -178.629 flat angles P-C4'-P energy: -125.737 tors. eta vs tors. theta energy: -223.399 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: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2798.416783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.416783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.416783 (E_RNA) where: Base-Base interactions energy: -1981.046 where: short stacking energy: -856.951 Base-Backbone interact. energy: -2.663 local terms energy: -814.708094 where: bonds (distance) C4'-P energy: -145.780 bonds (distance) P-C4' energy: -156.309 flat angles C4'-P-C4' energy: -172.353 flat angles P-C4'-P energy: -120.968 tors. eta vs tors. theta energy: -219.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2634.642136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.642136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.642136 (E_RNA) where: Base-Base interactions energy: -1890.664 where: short stacking energy: -812.989 Base-Backbone interact. energy: -3.365 local terms energy: -740.612572 where: bonds (distance) C4'-P energy: -132.005 bonds (distance) P-C4' energy: -125.981 flat angles C4'-P-C4' energy: -175.530 flat angles P-C4'-P energy: -109.835 tors. eta vs tors. theta energy: -197.262 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: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2395.221176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.221176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.221176 (E_RNA) where: Base-Base interactions energy: -1643.498 where: short stacking energy: -740.937 Base-Backbone interact. energy: -1.466 local terms energy: -750.257505 where: bonds (distance) C4'-P energy: -133.002 bonds (distance) P-C4' energy: -151.338 flat angles C4'-P-C4' energy: -159.049 flat angles P-C4'-P energy: -107.298 tors. eta vs tors. theta energy: -199.571 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: 10 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2286.569331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.569331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.569331 (E_RNA) where: Base-Base interactions energy: -1602.476 where: short stacking energy: -682.200 Base-Backbone interact. energy: -5.365 local terms energy: -678.728603 where: bonds (distance) C4'-P energy: -123.366 bonds (distance) P-C4' energy: -140.904 flat angles C4'-P-C4' energy: -143.301 flat angles P-C4'-P energy: -90.379 tors. eta vs tors. theta energy: -180.780 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: 120 Temperature: 1.200000 Total energy: -2057.624053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.624053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.624053 (E_RNA) where: Base-Base interactions energy: -1413.171 where: short stacking energy: -615.907 Base-Backbone interact. energy: -1.996 local terms energy: -642.456435 where: bonds (distance) C4'-P energy: -134.261 bonds (distance) P-C4' energy: -117.436 flat angles C4'-P-C4' energy: -156.989 flat angles P-C4'-P energy: -82.477 tors. eta vs tors. theta energy: -151.295 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: 9 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1724.692829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.692829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.692829 (E_RNA) where: Base-Base interactions energy: -1153.629 where: short stacking energy: -528.630 Base-Backbone interact. energy: 4.509 local terms energy: -575.572629 where: bonds (distance) C4'-P energy: -133.089 bonds (distance) P-C4' energy: -131.393 flat angles C4'-P-C4' energy: -146.030 flat angles P-C4'-P energy: -67.578 tors. eta vs tors. theta energy: -97.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1590.214714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.214714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.214714 (E_RNA) where: Base-Base interactions energy: -1001.215 where: short stacking energy: -472.210 Base-Backbone interact. energy: -1.441 local terms energy: -587.558294 where: bonds (distance) C4'-P energy: -109.626 bonds (distance) P-C4' energy: -140.857 flat angles C4'-P-C4' energy: -144.863 flat angles P-C4'-P energy: -87.181 tors. eta vs tors. theta energy: -105.031 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: 6 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1378.949316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.949316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.949316 (E_RNA) where: Base-Base interactions energy: -863.236 where: short stacking energy: -408.228 Base-Backbone interact. energy: 5.037 local terms energy: -520.750627 where: bonds (distance) C4'-P energy: -121.494 bonds (distance) P-C4' energy: -138.555 flat angles C4'-P-C4' energy: -126.601 flat angles P-C4'-P energy: -74.955 tors. eta vs tors. theta energy: -59.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2895.630150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.630150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.630150 (E_RNA) where: Base-Base interactions energy: -2044.545 where: short stacking energy: -843.589 Base-Backbone interact. energy: -3.327 local terms energy: -847.758232 where: bonds (distance) C4'-P energy: -156.525 bonds (distance) P-C4' energy: -170.062 flat angles C4'-P-C4' energy: -170.847 flat angles P-C4'-P energy: -126.911 tors. eta vs tors. theta energy: -223.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2839.638939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.638939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.638939 (E_RNA) where: Base-Base interactions energy: -2015.678 where: short stacking energy: -853.977 Base-Backbone interact. energy: -3.037 local terms energy: -820.923405 where: bonds (distance) C4'-P energy: -152.903 bonds (distance) P-C4' energy: -144.039 flat angles C4'-P-C4' energy: -183.216 flat angles P-C4'-P energy: -118.447 tors. eta vs tors. theta energy: -222.319 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: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2794.474721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.474721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.474721 (E_RNA) where: Base-Base interactions energy: -1986.376 where: short stacking energy: -831.550 Base-Backbone interact. energy: -4.082 local terms energy: -804.016832 where: bonds (distance) C4'-P energy: -140.910 bonds (distance) P-C4' energy: -154.975 flat angles C4'-P-C4' energy: -179.078 flat angles P-C4'-P energy: -112.223 tors. eta vs tors. theta energy: -216.831 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: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2563.453141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.453141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.453141 (E_RNA) where: Base-Base interactions energy: -1791.125 where: short stacking energy: -723.936 Base-Backbone interact. energy: -2.093 local terms energy: -770.235640 where: bonds (distance) C4'-P energy: -154.834 bonds (distance) P-C4' energy: -143.077 flat angles C4'-P-C4' energy: -173.995 flat angles P-C4'-P energy: -111.764 tors. eta vs tors. theta energy: -186.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2392.111374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.111374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.111374 (E_RNA) where: Base-Base interactions energy: -1657.965 where: short stacking energy: -706.562 Base-Backbone interact. energy: -2.957 local terms energy: -731.189204 where: bonds (distance) C4'-P energy: -141.510 bonds (distance) P-C4' energy: -148.588 flat angles C4'-P-C4' energy: -152.022 flat angles P-C4'-P energy: -108.314 tors. eta vs tors. theta energy: -180.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2297.378923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.378923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.378923 (E_RNA) where: Base-Base interactions energy: -1585.282 where: short stacking energy: -665.548 Base-Backbone interact. energy: -2.663 local terms energy: -709.434147 where: bonds (distance) C4'-P energy: -132.735 bonds (distance) P-C4' energy: -140.437 flat angles C4'-P-C4' energy: -156.814 flat angles P-C4'-P energy: -100.892 tors. eta vs tors. theta energy: -178.556 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: 121 Temperature: 1.200000 Total energy: -2040.131855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.131855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.131855 (E_RNA) where: Base-Base interactions energy: -1367.701 where: short stacking energy: -628.334 Base-Backbone interact. energy: 0.192 local terms energy: -672.623306 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -136.820 flat angles C4'-P-C4' energy: -172.141 flat angles P-C4'-P energy: -85.748 tors. eta vs tors. theta energy: -153.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1673.840907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.840907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.840907 (E_RNA) where: Base-Base interactions energy: -1075.849 where: short stacking energy: -507.579 Base-Backbone interact. energy: 1.352 local terms energy: -599.344455 where: bonds (distance) C4'-P energy: -122.469 bonds (distance) P-C4' energy: -137.767 flat angles C4'-P-C4' energy: -154.698 flat angles P-C4'-P energy: -91.678 tors. eta vs tors. theta energy: -92.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1577.197647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.197647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.197647 (E_RNA) where: Base-Base interactions energy: -1054.409 where: short stacking energy: -500.213 Base-Backbone interact. energy: -1.798 local terms energy: -520.990757 where: bonds (distance) C4'-P energy: -71.517 bonds (distance) P-C4' energy: -127.945 flat angles C4'-P-C4' energy: -141.464 flat angles P-C4'-P energy: -80.176 tors. eta vs tors. theta energy: -99.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1414.709264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.709264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.709264 (E_RNA) where: Base-Base interactions energy: -924.397 where: short stacking energy: -397.436 Base-Backbone interact. energy: -1.891 local terms energy: -488.421864 where: bonds (distance) C4'-P energy: -111.676 bonds (distance) P-C4' energy: -130.830 flat angles C4'-P-C4' energy: -115.341 flat angles P-C4'-P energy: -62.587 tors. eta vs tors. theta energy: -67.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2883.497566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.497566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.497566 (E_RNA) where: Base-Base interactions energy: -2040.684 where: short stacking energy: -848.151 Base-Backbone interact. energy: -6.961 local terms energy: -835.852474 where: bonds (distance) C4'-P energy: -144.390 bonds (distance) P-C4' energy: -161.192 flat angles C4'-P-C4' energy: -192.212 flat angles P-C4'-P energy: -115.973 tors. eta vs tors. theta energy: -222.086 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: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2830.414905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.414905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.414905 (E_RNA) where: Base-Base interactions energy: -1985.166 where: short stacking energy: -874.054 Base-Backbone interact. energy: -6.184 local terms energy: -839.064798 where: bonds (distance) C4'-P energy: -150.887 bonds (distance) P-C4' energy: -172.289 flat angles C4'-P-C4' energy: -183.307 flat angles P-C4'-P energy: -107.179 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: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2778.342563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.342563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.342563 (E_RNA) where: Base-Base interactions energy: -1963.034 where: short stacking energy: -861.198 Base-Backbone interact. energy: -2.689 local terms energy: -812.619258 where: bonds (distance) C4'-P energy: -148.293 bonds (distance) P-C4' energy: -160.933 flat angles C4'-P-C4' energy: -173.417 flat angles P-C4'-P energy: -101.272 tors. eta vs tors. theta energy: -228.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2588.982154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.982154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.982154 (E_RNA) where: Base-Base interactions energy: -1817.534 where: short stacking energy: -783.869 Base-Backbone interact. energy: -5.954 local terms energy: -765.494187 where: bonds (distance) C4'-P energy: -142.218 bonds (distance) P-C4' energy: -140.945 flat angles C4'-P-C4' energy: -177.701 flat angles P-C4'-P energy: -112.087 tors. eta vs tors. theta energy: -192.544 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: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2370.597271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.597271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.597271 (E_RNA) where: Base-Base interactions energy: -1643.380 where: short stacking energy: -701.268 Base-Backbone interact. energy: -0.328 local terms energy: -726.889456 where: bonds (distance) C4'-P energy: -139.776 bonds (distance) P-C4' energy: -154.848 flat angles C4'-P-C4' energy: -158.339 flat angles P-C4'-P energy: -87.690 tors. eta vs tors. theta energy: -186.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2367.797453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.797453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.797453 (E_RNA) where: Base-Base interactions energy: -1683.048 where: short stacking energy: -705.722 Base-Backbone interact. energy: -5.545 local terms energy: -679.204400 where: bonds (distance) C4'-P energy: -114.990 bonds (distance) P-C4' energy: -146.400 flat angles C4'-P-C4' energy: -154.057 flat angles P-C4'-P energy: -94.650 tors. eta vs tors. theta energy: -169.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -2047.454871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.454871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.454871 (E_RNA) where: Base-Base interactions energy: -1413.600 where: short stacking energy: -612.672 Base-Backbone interact. energy: -0.731 local terms energy: -633.124226 where: bonds (distance) C4'-P energy: -128.355 bonds (distance) P-C4' energy: -120.256 flat angles C4'-P-C4' energy: -149.531 flat angles P-C4'-P energy: -96.858 tors. eta vs tors. theta energy: -138.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1729.193789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.193789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.193789 (E_RNA) where: Base-Base interactions energy: -1182.219 where: short stacking energy: -517.902 Base-Backbone interact. energy: 2.539 local terms energy: -549.514098 where: bonds (distance) C4'-P energy: -104.557 bonds (distance) P-C4' energy: -136.788 flat angles C4'-P-C4' energy: -135.401 flat angles P-C4'-P energy: -83.437 tors. eta vs tors. theta energy: -89.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1642.773281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.773281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.773281 (E_RNA) where: Base-Base interactions energy: -1075.376 where: short stacking energy: -499.024 Base-Backbone interact. energy: 1.243 local terms energy: -568.640963 where: bonds (distance) C4'-P energy: -111.618 bonds (distance) P-C4' energy: -135.759 flat angles C4'-P-C4' energy: -140.574 flat angles P-C4'-P energy: -78.029 tors. eta vs tors. theta energy: -102.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1395.581529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.581529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.581529 (E_RNA) where: Base-Base interactions energy: -934.937 where: short stacking energy: -390.239 Base-Backbone interact. energy: -1.894 local terms energy: -458.750606 where: bonds (distance) C4'-P energy: -119.742 bonds (distance) P-C4' energy: -114.037 flat angles C4'-P-C4' energy: -107.767 flat angles P-C4'-P energy: -73.470 tors. eta vs tors. theta energy: -43.734 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: 123 Temperature: 0.900000 Total energy: -2903.766816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.766816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.766816 (E_RNA) where: Base-Base interactions energy: -2060.900 where: short stacking energy: -831.695 Base-Backbone interact. energy: -4.426 local terms energy: -838.441500 where: bonds (distance) C4'-P energy: -172.532 bonds (distance) P-C4' energy: -167.353 flat angles C4'-P-C4' energy: -169.875 flat angles P-C4'-P energy: -111.496 tors. eta vs tors. theta energy: -217.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2829.645295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.645295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.645295 (E_RNA) where: Base-Base interactions energy: -1980.714 where: short stacking energy: -879.976 Base-Backbone interact. energy: -2.102 local terms energy: -846.829233 where: bonds (distance) C4'-P energy: -159.512 bonds (distance) P-C4' energy: -167.921 flat angles C4'-P-C4' energy: -177.161 flat angles P-C4'-P energy: -114.246 tors. eta vs tors. theta energy: -227.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2792.141475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.141475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.141475 (E_RNA) where: Base-Base interactions energy: -1941.115 where: short stacking energy: -838.037 Base-Backbone interact. energy: -2.365 local terms energy: -848.661500 where: bonds (distance) C4'-P energy: -166.848 bonds (distance) P-C4' energy: -163.894 flat angles C4'-P-C4' energy: -186.544 flat angles P-C4'-P energy: -108.683 tors. eta vs tors. theta energy: -222.693 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: 123 Temperature: 1.050000 Total energy: -2574.625507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.625507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.625507 (E_RNA) where: Base-Base interactions energy: -1785.757 where: short stacking energy: -770.405 Base-Backbone interact. energy: -3.501 local terms energy: -785.367315 where: bonds (distance) C4'-P energy: -167.052 bonds (distance) P-C4' energy: -146.583 flat angles C4'-P-C4' energy: -165.205 flat angles P-C4'-P energy: -110.007 tors. eta vs tors. theta energy: -196.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2408.978723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.978723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.978723 (E_RNA) where: Base-Base interactions energy: -1683.998 where: short stacking energy: -706.437 Base-Backbone interact. energy: -3.515 local terms energy: -721.465278 where: bonds (distance) C4'-P energy: -130.810 bonds (distance) P-C4' energy: -146.049 flat angles C4'-P-C4' energy: -162.869 flat angles P-C4'-P energy: -85.203 tors. eta vs tors. theta energy: -196.535 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: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2329.520423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.520423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.520423 (E_RNA) where: Base-Base interactions energy: -1638.858 where: short stacking energy: -694.361 Base-Backbone interact. energy: 0.047 local terms energy: -690.709002 where: bonds (distance) C4'-P energy: -122.023 bonds (distance) P-C4' energy: -126.038 flat angles C4'-P-C4' energy: -156.627 flat angles P-C4'-P energy: -107.443 tors. eta vs tors. theta energy: -178.578 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: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2082.560280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.560280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.560280 (E_RNA) where: Base-Base interactions energy: -1426.727 where: short stacking energy: -649.893 Base-Backbone interact. energy: 3.671 local terms energy: -659.504430 where: bonds (distance) C4'-P energy: -135.202 bonds (distance) P-C4' energy: -114.498 flat angles C4'-P-C4' energy: -160.263 flat angles P-C4'-P energy: -98.443 tors. eta vs tors. theta energy: -151.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1817.312412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.312412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.312412 (E_RNA) where: Base-Base interactions energy: -1219.833 where: short stacking energy: -570.854 Base-Backbone interact. energy: 0.505 local terms energy: -597.983702 where: bonds (distance) C4'-P energy: -121.658 bonds (distance) P-C4' energy: -137.160 flat angles C4'-P-C4' energy: -137.743 flat angles P-C4'-P energy: -91.055 tors. eta vs tors. theta energy: -110.368 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: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1596.526797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.526797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.526797 (E_RNA) where: Base-Base interactions energy: -1068.483 where: short stacking energy: -483.703 Base-Backbone interact. energy: 0.770 local terms energy: -528.814204 where: bonds (distance) C4'-P energy: -115.394 bonds (distance) P-C4' energy: -113.214 flat angles C4'-P-C4' energy: -127.516 flat angles P-C4'-P energy: -80.480 tors. eta vs tors. theta energy: -92.209 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: 6 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1344.102242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.102242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.102242 (E_RNA) where: Base-Base interactions energy: -878.453 where: short stacking energy: -416.474 Base-Backbone interact. energy: 0.110 local terms energy: -465.758929 where: bonds (distance) C4'-P energy: -102.585 bonds (distance) P-C4' energy: -123.617 flat angles C4'-P-C4' energy: -99.054 flat angles P-C4'-P energy: -79.215 tors. eta vs tors. theta energy: -61.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2924.063164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.063164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.063164 (E_RNA) where: Base-Base interactions energy: -2099.092 where: short stacking energy: -861.701 Base-Backbone interact. energy: -5.493 local terms energy: -819.477760 where: bonds (distance) C4'-P energy: -161.500 bonds (distance) P-C4' energy: -153.511 flat angles C4'-P-C4' energy: -174.884 flat angles P-C4'-P energy: -115.851 tors. eta vs tors. theta energy: -213.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2818.225158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.225158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.225158 (E_RNA) where: Base-Base interactions energy: -1996.703 where: short stacking energy: -863.763 Base-Backbone interact. energy: 2.380 local terms energy: -823.902308 where: bonds (distance) C4'-P energy: -160.634 bonds (distance) P-C4' energy: -150.932 flat angles C4'-P-C4' energy: -177.316 flat angles P-C4'-P energy: -104.028 tors. eta vs tors. theta energy: -230.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2758.120729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.120729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.120729 (E_RNA) where: Base-Base interactions energy: -1953.268 where: short stacking energy: -839.212 Base-Backbone interact. energy: 3.893 local terms energy: -808.745342 where: bonds (distance) C4'-P energy: -158.381 bonds (distance) P-C4' energy: -145.291 flat angles C4'-P-C4' energy: -171.303 flat angles P-C4'-P energy: -118.743 tors. eta vs tors. theta energy: -215.027 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: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2550.226299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.226299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.226299 (E_RNA) where: Base-Base interactions energy: -1768.821 where: short stacking energy: -760.638 Base-Backbone interact. energy: -6.584 local terms energy: -774.821351 where: bonds (distance) C4'-P energy: -137.565 bonds (distance) P-C4' energy: -155.654 flat angles C4'-P-C4' energy: -181.059 flat angles P-C4'-P energy: -113.246 tors. eta vs tors. theta energy: -187.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2393.186984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.186984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.186984 (E_RNA) where: Base-Base interactions energy: -1671.091 where: short stacking energy: -709.318 Base-Backbone interact. energy: -1.021 local terms energy: -721.074691 where: bonds (distance) C4'-P energy: -143.064 bonds (distance) P-C4' energy: -135.849 flat angles C4'-P-C4' energy: -145.983 flat angles P-C4'-P energy: -110.135 tors. eta vs tors. theta energy: -186.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2329.781689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.781689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.781689 (E_RNA) where: Base-Base interactions energy: -1607.697 where: short stacking energy: -654.913 Base-Backbone interact. energy: 0.554 local terms energy: -722.639486 where: bonds (distance) C4'-P energy: -153.351 bonds (distance) P-C4' energy: -137.006 flat angles C4'-P-C4' energy: -155.272 flat angles P-C4'-P energy: -112.580 tors. eta vs tors. theta energy: -164.431 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: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -2143.691519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.691519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.691519 (E_RNA) where: Base-Base interactions energy: -1480.032 where: short stacking energy: -611.920 Base-Backbone interact. energy: -0.760 local terms energy: -662.899830 where: bonds (distance) C4'-P energy: -120.243 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -148.685 flat angles P-C4'-P energy: -98.418 tors. eta vs tors. theta energy: -158.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1760.410255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.410255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.410255 (E_RNA) where: Base-Base interactions energy: -1191.384 where: short stacking energy: -576.839 Base-Backbone interact. energy: 1.478 local terms energy: -570.504515 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -110.857 flat angles C4'-P-C4' energy: -128.197 flat angles P-C4'-P energy: -73.741 tors. eta vs tors. theta energy: -128.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1578.530351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.530351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.530351 (E_RNA) where: Base-Base interactions energy: -1023.411 where: short stacking energy: -457.940 Base-Backbone interact. energy: -0.815 local terms energy: -554.304342 where: bonds (distance) C4'-P energy: -140.256 bonds (distance) P-C4' energy: -144.842 flat angles C4'-P-C4' energy: -110.777 flat angles P-C4'-P energy: -67.693 tors. eta vs tors. theta energy: -90.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1404.959308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.959308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.959308 (E_RNA) where: Base-Base interactions energy: -875.905 where: short stacking energy: -412.578 Base-Backbone interact. energy: 0.494 local terms energy: -529.548288 where: bonds (distance) C4'-P energy: -119.443 bonds (distance) P-C4' energy: -148.073 flat angles C4'-P-C4' energy: -118.461 flat angles P-C4'-P energy: -84.426 tors. eta vs tors. theta energy: -59.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2932.160833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.160833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.160833 (E_RNA) where: Base-Base interactions energy: -2112.599 where: short stacking energy: -891.219 Base-Backbone interact. energy: -4.136 local terms energy: -815.425465 where: bonds (distance) C4'-P energy: -152.478 bonds (distance) P-C4' energy: -151.880 flat angles C4'-P-C4' energy: -171.259 flat angles P-C4'-P energy: -108.654 tors. eta vs tors. theta energy: -231.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2840.729233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.729233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.729233 (E_RNA) where: Base-Base interactions energy: -2007.436 where: short stacking energy: -874.277 Base-Backbone interact. energy: -2.561 local terms energy: -830.731963 where: bonds (distance) C4'-P energy: -165.905 bonds (distance) P-C4' energy: -152.711 flat angles C4'-P-C4' energy: -164.132 flat angles P-C4'-P energy: -122.723 tors. eta vs tors. theta energy: -225.260 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: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2794.492668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.492668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.492668 (E_RNA) where: Base-Base interactions energy: -1962.573 where: short stacking energy: -841.126 Base-Backbone interact. energy: -4.543 local terms energy: -827.376859 where: bonds (distance) C4'-P energy: -149.153 bonds (distance) P-C4' energy: -160.150 flat angles C4'-P-C4' energy: -165.339 flat angles P-C4'-P energy: -120.410 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: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2591.765100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.765100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.765100 (E_RNA) where: Base-Base interactions energy: -1779.238 where: short stacking energy: -769.396 Base-Backbone interact. energy: -2.737 local terms energy: -809.789923 where: bonds (distance) C4'-P energy: -147.551 bonds (distance) P-C4' energy: -157.205 flat angles C4'-P-C4' energy: -181.562 flat angles P-C4'-P energy: -125.674 tors. eta vs tors. theta energy: -197.798 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: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2367.963068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.963068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.963068 (E_RNA) where: Base-Base interactions energy: -1624.675 where: short stacking energy: -722.968 Base-Backbone interact. energy: -1.423 local terms energy: -741.865684 where: bonds (distance) C4'-P energy: -138.610 bonds (distance) P-C4' energy: -162.097 flat angles C4'-P-C4' energy: -152.675 flat angles P-C4'-P energy: -94.030 tors. eta vs tors. theta energy: -194.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2376.606511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.606511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.606511 (E_RNA) where: Base-Base interactions energy: -1693.976 where: short stacking energy: -684.795 Base-Backbone interact. energy: -1.738 local terms energy: -680.892150 where: bonds (distance) C4'-P energy: -146.192 bonds (distance) P-C4' energy: -116.570 flat angles C4'-P-C4' energy: -158.898 flat angles P-C4'-P energy: -85.743 tors. eta vs tors. theta energy: -173.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -2098.571528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.571528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.571528 (E_RNA) where: Base-Base interactions energy: -1437.805 where: short stacking energy: -636.894 Base-Backbone interact. energy: 1.611 local terms energy: -662.378036 where: bonds (distance) C4'-P energy: -123.087 bonds (distance) P-C4' energy: -129.325 flat angles C4'-P-C4' energy: -150.539 flat angles P-C4'-P energy: -97.798 tors. eta vs tors. theta energy: -161.630 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: 8, replica: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1808.554479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.554479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.554479 (E_RNA) where: Base-Base interactions energy: -1190.651 where: short stacking energy: -564.668 Base-Backbone interact. energy: -2.790 local terms energy: -615.113916 where: bonds (distance) C4'-P energy: -130.429 bonds (distance) P-C4' energy: -144.209 flat angles C4'-P-C4' energy: -137.138 flat angles P-C4'-P energy: -76.902 tors. eta vs tors. theta energy: -126.435 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: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1531.641899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.641899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.641899 (E_RNA) where: Base-Base interactions energy: -1024.833 where: short stacking energy: -471.863 Base-Backbone interact. energy: -1.724 local terms energy: -505.085447 where: bonds (distance) C4'-P energy: -85.152 bonds (distance) P-C4' energy: -127.276 flat angles C4'-P-C4' energy: -134.778 flat angles P-C4'-P energy: -77.637 tors. eta vs tors. theta energy: -80.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1367.945195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.945195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.945195 (E_RNA) where: Base-Base interactions energy: -917.950 where: short stacking energy: -419.819 Base-Backbone interact. energy: 1.468 local terms energy: -451.463593 where: bonds (distance) C4'-P energy: -120.673 bonds (distance) P-C4' energy: -99.465 flat angles C4'-P-C4' energy: -119.893 flat angles P-C4'-P energy: -66.161 tors. eta vs tors. theta energy: -45.271 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: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2927.615927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.615927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.615927 (E_RNA) where: Base-Base interactions energy: -2085.616 where: short stacking energy: -871.170 Base-Backbone interact. energy: -3.540 local terms energy: -838.460129 where: bonds (distance) C4'-P energy: -155.066 bonds (distance) P-C4' energy: -156.199 flat angles C4'-P-C4' energy: -180.479 flat angles P-C4'-P energy: -126.916 tors. eta vs tors. theta energy: -219.800 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: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2805.533521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.533521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.533521 (E_RNA) where: Base-Base interactions energy: -1990.947 where: short stacking energy: -871.159 Base-Backbone interact. energy: -1.150 local terms energy: -813.435966 where: bonds (distance) C4'-P energy: -155.882 bonds (distance) P-C4' energy: -131.682 flat angles C4'-P-C4' energy: -188.223 flat angles P-C4'-P energy: -104.008 tors. eta vs tors. theta energy: -233.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2763.532829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.532829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.532829 (E_RNA) where: Base-Base interactions energy: -1919.659 where: short stacking energy: -800.050 Base-Backbone interact. energy: -1.962 local terms energy: -841.911741 where: bonds (distance) C4'-P energy: -162.291 bonds (distance) P-C4' energy: -153.174 flat angles C4'-P-C4' energy: -178.339 flat angles P-C4'-P energy: -134.764 tors. eta vs tors. theta energy: -213.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2563.302360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.302360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.302360 (E_RNA) where: Base-Base interactions energy: -1778.852 where: short stacking energy: -781.452 Base-Backbone interact. energy: -4.203 local terms energy: -780.247842 where: bonds (distance) C4'-P energy: -142.649 bonds (distance) P-C4' energy: -150.853 flat angles C4'-P-C4' energy: -184.452 flat angles P-C4'-P energy: -110.208 tors. eta vs tors. theta energy: -192.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2374.103071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.103071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.103071 (E_RNA) where: Base-Base interactions energy: -1666.984 where: short stacking energy: -716.607 Base-Backbone interact. energy: 0.041 local terms energy: -707.160072 where: bonds (distance) C4'-P energy: -135.227 bonds (distance) P-C4' energy: -139.674 flat angles C4'-P-C4' energy: -174.337 flat angles P-C4'-P energy: -94.768 tors. eta vs tors. theta energy: -163.154 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: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2400.090215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.090215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.090215 (E_RNA) where: Base-Base interactions energy: -1735.238 where: short stacking energy: -693.857 Base-Backbone interact. energy: -6.169 local terms energy: -658.683529 where: bonds (distance) C4'-P energy: -131.927 bonds (distance) P-C4' energy: -135.391 flat angles C4'-P-C4' energy: -149.225 flat angles P-C4'-P energy: -76.982 tors. eta vs tors. theta energy: -165.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -2066.077799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.077799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.077799 (E_RNA) where: Base-Base interactions energy: -1420.316 where: short stacking energy: -621.227 Base-Backbone interact. energy: 0.364 local terms energy: -646.125987 where: bonds (distance) C4'-P energy: -122.517 bonds (distance) P-C4' energy: -136.202 flat angles C4'-P-C4' energy: -135.574 flat angles P-C4'-P energy: -96.240 tors. eta vs tors. theta energy: -155.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1801.775042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.775042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.775042 (E_RNA) where: Base-Base interactions energy: -1220.587 where: short stacking energy: -533.335 Base-Backbone interact. energy: 5.541 local terms energy: -586.728757 where: bonds (distance) C4'-P energy: -130.233 bonds (distance) P-C4' energy: -122.249 flat angles C4'-P-C4' energy: -133.269 flat angles P-C4'-P energy: -85.005 tors. eta vs tors. theta energy: -115.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1482.542527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.542527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.542527 (E_RNA) where: Base-Base interactions energy: -951.469 where: short stacking energy: -422.358 Base-Backbone interact. energy: -0.131 local terms energy: -530.942554 where: bonds (distance) C4'-P energy: -128.408 bonds (distance) P-C4' energy: -145.150 flat angles C4'-P-C4' energy: -104.321 flat angles P-C4'-P energy: -90.460 tors. eta vs tors. theta energy: -62.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1390.687125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.687125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.687125 (E_RNA) where: Base-Base interactions energy: -901.458 where: short stacking energy: -412.468 Base-Backbone interact. energy: 3.780 local terms energy: -493.009600 where: bonds (distance) C4'-P energy: -105.109 bonds (distance) P-C4' energy: -134.960 flat angles C4'-P-C4' energy: -116.712 flat angles P-C4'-P energy: -70.752 tors. eta vs tors. theta energy: -65.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2935.056717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.056717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.056717 (E_RNA) where: Base-Base interactions energy: -2099.644 where: short stacking energy: -877.944 Base-Backbone interact. energy: -4.140 local terms energy: -831.273240 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -155.663 flat angles C4'-P-C4' energy: -183.145 flat angles P-C4'-P energy: -125.736 tors. eta vs tors. theta energy: -217.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2826.393554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.393554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.393554 (E_RNA) where: Base-Base interactions energy: -1978.347 where: short stacking energy: -841.379 Base-Backbone interact. energy: -3.109 local terms energy: -844.937156 where: bonds (distance) C4'-P energy: -162.096 bonds (distance) P-C4' energy: -154.277 flat angles C4'-P-C4' energy: -179.376 flat angles P-C4'-P energy: -138.884 tors. eta vs tors. theta energy: -210.303 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: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2794.708783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.708783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.708783 (E_RNA) where: Base-Base interactions energy: -1982.022 where: short stacking energy: -836.807 Base-Backbone interact. energy: -1.961 local terms energy: -810.726429 where: bonds (distance) C4'-P energy: -162.769 bonds (distance) P-C4' energy: -151.785 flat angles C4'-P-C4' energy: -167.988 flat angles P-C4'-P energy: -107.231 tors. eta vs tors. theta energy: -220.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2581.484142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.484142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.484142 (E_RNA) where: Base-Base interactions energy: -1778.614 where: short stacking energy: -782.070 Base-Backbone interact. energy: -7.635 local terms energy: -795.235089 where: bonds (distance) C4'-P energy: -138.151 bonds (distance) P-C4' energy: -169.651 flat angles C4'-P-C4' energy: -177.481 flat angles P-C4'-P energy: -113.906 tors. eta vs tors. theta energy: -196.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2463.598671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.598671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.598671 (E_RNA) where: Base-Base interactions energy: -1728.324 where: short stacking energy: -749.334 Base-Backbone interact. energy: 0.886 local terms energy: -736.160924 where: bonds (distance) C4'-P energy: -135.898 bonds (distance) P-C4' energy: -145.757 flat angles C4'-P-C4' energy: -167.938 flat angles P-C4'-P energy: -98.625 tors. eta vs tors. theta energy: -187.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2416.448035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.448035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.448035 (E_RNA) where: Base-Base interactions energy: -1745.957 where: short stacking energy: -708.955 Base-Backbone interact. energy: -3.704 local terms energy: -666.787344 where: bonds (distance) C4'-P energy: -128.496 bonds (distance) P-C4' energy: -144.059 flat angles C4'-P-C4' energy: -137.706 flat angles P-C4'-P energy: -81.276 tors. eta vs tors. theta energy: -175.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -2075.716124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.716124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.716124 (E_RNA) where: Base-Base interactions energy: -1392.002 where: short stacking energy: -619.839 Base-Backbone interact. energy: -3.973 local terms energy: -679.741312 where: bonds (distance) C4'-P energy: -123.950 bonds (distance) P-C4' energy: -140.399 flat angles C4'-P-C4' energy: -154.481 flat angles P-C4'-P energy: -109.705 tors. eta vs tors. theta energy: -151.206 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: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1768.279262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.279262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.279262 (E_RNA) where: Base-Base interactions energy: -1163.110 where: short stacking energy: -531.334 Base-Backbone interact. energy: -2.202 local terms energy: -602.967385 where: bonds (distance) C4'-P energy: -128.739 bonds (distance) P-C4' energy: -129.697 flat angles C4'-P-C4' energy: -141.510 flat angles P-C4'-P energy: -100.084 tors. eta vs tors. theta energy: -102.938 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: 9, replica: 6 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1558.476163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.476163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.476163 (E_RNA) where: Base-Base interactions energy: -1047.149 where: short stacking energy: -463.424 Base-Backbone interact. energy: -2.860 local terms energy: -508.466852 where: bonds (distance) C4'-P energy: -125.399 bonds (distance) P-C4' energy: -128.447 flat angles C4'-P-C4' energy: -117.424 flat angles P-C4'-P energy: -65.544 tors. eta vs tors. theta energy: -71.652 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: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1329.491667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.491667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.491667 (E_RNA) where: Base-Base interactions energy: -808.236 where: short stacking energy: -403.549 Base-Backbone interact. energy: 1.239 local terms energy: -522.495314 where: bonds (distance) C4'-P energy: -129.119 bonds (distance) P-C4' energy: -146.171 flat angles C4'-P-C4' energy: -104.753 flat angles P-C4'-P energy: -71.250 tors. eta vs tors. theta energy: -71.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2926.975362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.975362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.975362 (E_RNA) where: Base-Base interactions energy: -2095.983 where: short stacking energy: -890.494 Base-Backbone interact. energy: -2.583 local terms energy: -828.409943 where: bonds (distance) C4'-P energy: -150.249 bonds (distance) P-C4' energy: -158.528 flat angles C4'-P-C4' energy: -177.295 flat angles P-C4'-P energy: -118.994 tors. eta vs tors. theta energy: -223.344 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: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2798.876234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.876234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.876234 (E_RNA) where: Base-Base interactions energy: -1988.593 where: short stacking energy: -844.336 Base-Backbone interact. energy: -2.594 local terms energy: -807.688983 where: bonds (distance) C4'-P energy: -157.111 bonds (distance) P-C4' energy: -154.384 flat angles C4'-P-C4' energy: -173.530 flat angles P-C4'-P energy: -109.443 tors. eta vs tors. theta energy: -213.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2711.843622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.843622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.843622 (E_RNA) where: Base-Base interactions energy: -1895.408 where: short stacking energy: -833.431 Base-Backbone interact. energy: -2.412 local terms energy: -814.023156 where: bonds (distance) C4'-P energy: -136.651 bonds (distance) P-C4' energy: -151.507 flat angles C4'-P-C4' energy: -171.748 flat angles P-C4'-P energy: -133.998 tors. eta vs tors. theta energy: -220.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2632.333669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.333669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.333669 (E_RNA) where: Base-Base interactions energy: -1816.814 where: short stacking energy: -802.140 Base-Backbone interact. energy: -2.348 local terms energy: -813.172452 where: bonds (distance) C4'-P energy: -152.909 bonds (distance) P-C4' energy: -149.718 flat angles C4'-P-C4' energy: -174.979 flat angles P-C4'-P energy: -118.662 tors. eta vs tors. theta energy: -216.905 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: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2408.963603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.963603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.963603 (E_RNA) where: Base-Base interactions energy: -1677.760 where: short stacking energy: -717.823 Base-Backbone interact. energy: -3.030 local terms energy: -728.174552 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -142.018 flat angles C4'-P-C4' energy: -161.808 flat angles P-C4'-P energy: -110.416 tors. eta vs tors. theta energy: -187.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2333.948579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.948579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.948579 (E_RNA) where: Base-Base interactions energy: -1632.560 where: short stacking energy: -692.929 Base-Backbone interact. energy: -2.604 local terms energy: -698.784561 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -126.394 flat angles C4'-P-C4' energy: -166.655 flat angles P-C4'-P energy: -107.849 tors. eta vs tors. theta energy: -173.250 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: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -2106.811039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.811039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.811039 (E_RNA) where: Base-Base interactions energy: -1416.727 where: short stacking energy: -623.059 Base-Backbone interact. energy: -2.727 local terms energy: -687.356389 where: bonds (distance) C4'-P energy: -144.900 bonds (distance) P-C4' energy: -144.673 flat angles C4'-P-C4' energy: -152.602 flat angles P-C4'-P energy: -94.547 tors. eta vs tors. theta energy: -150.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1763.506618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.506618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.506618 (E_RNA) where: Base-Base interactions energy: -1126.018 where: short stacking energy: -522.974 Base-Backbone interact. energy: -2.008 local terms energy: -635.481073 where: bonds (distance) C4'-P energy: -138.888 bonds (distance) P-C4' energy: -148.336 flat angles C4'-P-C4' energy: -144.053 flat angles P-C4'-P energy: -94.730 tors. eta vs tors. theta energy: -109.473 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: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1679.197804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.197804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.197804 (E_RNA) where: Base-Base interactions energy: -1136.488 where: short stacking energy: -516.021 Base-Backbone interact. energy: -2.171 local terms energy: -540.538841 where: bonds (distance) C4'-P energy: -114.632 bonds (distance) P-C4' energy: -118.503 flat angles C4'-P-C4' energy: -141.103 flat angles P-C4'-P energy: -69.090 tors. eta vs tors. theta energy: -97.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1358.963223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.963223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.963223 (E_RNA) where: Base-Base interactions energy: -865.991 where: short stacking energy: -421.813 Base-Backbone interact. energy: -0.366 local terms energy: -492.605951 where: bonds (distance) C4'-P energy: -136.687 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -131.313 flat angles P-C4'-P energy: -69.262 tors. eta vs tors. theta energy: -52.955 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: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2936.707356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.707356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.707356 (E_RNA) where: Base-Base interactions energy: -2084.168 where: short stacking energy: -878.520 Base-Backbone interact. energy: -5.148 local terms energy: -847.391872 where: bonds (distance) C4'-P energy: -165.183 bonds (distance) P-C4' energy: -166.631 flat angles C4'-P-C4' energy: -175.309 flat angles P-C4'-P energy: -111.081 tors. eta vs tors. theta energy: -229.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2884.582501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.582501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.582501 (E_RNA) where: Base-Base interactions energy: -2027.738 where: short stacking energy: -898.433 Base-Backbone interact. energy: -0.455 local terms energy: -856.389297 where: bonds (distance) C4'-P energy: -148.904 bonds (distance) P-C4' energy: -155.491 flat angles C4'-P-C4' energy: -185.814 flat angles P-C4'-P energy: -126.808 tors. eta vs tors. theta energy: -239.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2742.871739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.871739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.871739 (E_RNA) where: Base-Base interactions energy: -1964.398 where: short stacking energy: -848.618 Base-Backbone interact. energy: 0.384 local terms energy: -778.857992 where: bonds (distance) C4'-P energy: -139.551 bonds (distance) P-C4' energy: -147.692 flat angles C4'-P-C4' energy: -175.860 flat angles P-C4'-P energy: -97.969 tors. eta vs tors. theta energy: -217.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2624.467010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.467010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.467010 (E_RNA) where: Base-Base interactions energy: -1829.980 where: short stacking energy: -775.982 Base-Backbone interact. energy: -1.249 local terms energy: -793.237665 where: bonds (distance) C4'-P energy: -127.869 bonds (distance) P-C4' energy: -154.650 flat angles C4'-P-C4' energy: -176.496 flat angles P-C4'-P energy: -124.903 tors. eta vs tors. theta energy: -209.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2411.238624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.238624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.238624 (E_RNA) where: Base-Base interactions energy: -1682.623 where: short stacking energy: -715.726 Base-Backbone interact. energy: -1.811 local terms energy: -726.804310 where: bonds (distance) C4'-P energy: -142.928 bonds (distance) P-C4' energy: -136.468 flat angles C4'-P-C4' energy: -156.922 flat angles P-C4'-P energy: -105.183 tors. eta vs tors. theta energy: -185.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2349.165683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.165683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.165683 (E_RNA) where: Base-Base interactions energy: -1632.771 where: short stacking energy: -696.701 Base-Backbone interact. energy: -2.952 local terms energy: -713.443159 where: bonds (distance) C4'-P energy: -122.275 bonds (distance) P-C4' energy: -158.462 flat angles C4'-P-C4' energy: -153.882 flat angles P-C4'-P energy: -113.724 tors. eta vs tors. theta energy: -165.101 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: 129 Temperature: 1.200000 Total energy: -2217.951850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.951850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.951850 (E_RNA) where: Base-Base interactions energy: -1541.496 where: short stacking energy: -646.793 Base-Backbone interact. energy: -3.878 local terms energy: -672.578113 where: bonds (distance) C4'-P energy: -128.508 bonds (distance) P-C4' energy: -135.330 flat angles C4'-P-C4' energy: -158.853 flat angles P-C4'-P energy: -102.471 tors. eta vs tors. theta energy: -147.416 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: 8, replica: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1823.612953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.612953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.612953 (E_RNA) where: Base-Base interactions energy: -1227.940 where: short stacking energy: -562.527 Base-Backbone interact. energy: -3.699 local terms energy: -591.974213 where: bonds (distance) C4'-P energy: -130.322 bonds (distance) P-C4' energy: -135.650 flat angles C4'-P-C4' energy: -150.019 flat angles P-C4'-P energy: -71.757 tors. eta vs tors. theta energy: -104.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1674.519800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.519800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.519800 (E_RNA) where: Base-Base interactions energy: -1131.418 where: short stacking energy: -518.278 Base-Backbone interact. energy: -3.435 local terms energy: -539.666958 where: bonds (distance) C4'-P energy: -127.523 bonds (distance) P-C4' energy: -118.573 flat angles C4'-P-C4' energy: -129.207 flat angles P-C4'-P energy: -86.756 tors. eta vs tors. theta energy: -77.608 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: 10, replica: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1323.982232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.982232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.982232 (E_RNA) where: Base-Base interactions energy: -830.818 where: short stacking energy: -388.833 Base-Backbone interact. energy: -1.165 local terms energy: -491.998793 where: bonds (distance) C4'-P energy: -115.495 bonds (distance) P-C4' energy: -137.982 flat angles C4'-P-C4' energy: -128.340 flat angles P-C4'-P energy: -70.493 tors. eta vs tors. theta energy: -39.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2937.945622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.945622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.945622 (E_RNA) where: Base-Base interactions energy: -2094.897 where: short stacking energy: -893.324 Base-Backbone interact. energy: -2.806 local terms energy: -840.242647 where: bonds (distance) C4'-P energy: -160.660 bonds (distance) P-C4' energy: -157.791 flat angles C4'-P-C4' energy: -170.011 flat angles P-C4'-P energy: -119.419 tors. eta vs tors. theta energy: -232.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2826.011480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.011480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.011480 (E_RNA) where: Base-Base interactions energy: -1983.846 where: short stacking energy: -875.953 Base-Backbone interact. energy: -1.884 local terms energy: -840.281947 where: bonds (distance) C4'-P energy: -152.776 bonds (distance) P-C4' energy: -161.922 flat angles C4'-P-C4' energy: -183.137 flat angles P-C4'-P energy: -117.043 tors. eta vs tors. theta energy: -225.405 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: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2756.605390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.605390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.605390 (E_RNA) where: Base-Base interactions energy: -1955.409 where: short stacking energy: -834.312 Base-Backbone interact. energy: -2.825 local terms energy: -798.371423 where: bonds (distance) C4'-P energy: -159.808 bonds (distance) P-C4' energy: -154.260 flat angles C4'-P-C4' energy: -163.025 flat angles P-C4'-P energy: -120.746 tors. eta vs tors. theta energy: -200.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2622.596720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.596720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.596720 (E_RNA) where: Base-Base interactions energy: -1851.910 where: short stacking energy: -812.714 Base-Backbone interact. energy: -1.444 local terms energy: -769.242299 where: bonds (distance) C4'-P energy: -147.400 bonds (distance) P-C4' energy: -154.877 flat angles C4'-P-C4' energy: -172.295 flat angles P-C4'-P energy: -87.784 tors. eta vs tors. theta energy: -206.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2446.796304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.796304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.796304 (E_RNA) where: Base-Base interactions energy: -1700.180 where: short stacking energy: -746.974 Base-Backbone interact. energy: 6.658 local terms energy: -753.274255 where: bonds (distance) C4'-P energy: -155.562 bonds (distance) P-C4' energy: -132.754 flat angles C4'-P-C4' energy: -162.148 flat angles P-C4'-P energy: -111.260 tors. eta vs tors. theta energy: -191.549 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: 10 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2290.175482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.175482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.175482 (E_RNA) where: Base-Base interactions energy: -1549.634 where: short stacking energy: -659.865 Base-Backbone interact. energy: -1.123 local terms energy: -739.419331 where: bonds (distance) C4'-P energy: -144.152 bonds (distance) P-C4' energy: -160.527 flat angles C4'-P-C4' energy: -156.895 flat angles P-C4'-P energy: -112.291 tors. eta vs tors. theta energy: -165.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -2303.859689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.859689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.859689 (E_RNA) where: Base-Base interactions energy: -1623.128 where: short stacking energy: -676.923 Base-Backbone interact. energy: 3.246 local terms energy: -683.977871 where: bonds (distance) C4'-P energy: -126.886 bonds (distance) P-C4' energy: -140.055 flat angles C4'-P-C4' energy: -165.795 flat angles P-C4'-P energy: -76.726 tors. eta vs tors. theta energy: -174.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1924.876060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.876060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.876060 (E_RNA) where: Base-Base interactions energy: -1325.085 where: short stacking energy: -576.369 Base-Backbone interact. energy: 2.006 local terms energy: -601.797183 where: bonds (distance) C4'-P energy: -123.965 bonds (distance) P-C4' energy: -130.073 flat angles C4'-P-C4' energy: -156.725 flat angles P-C4'-P energy: -62.692 tors. eta vs tors. theta energy: -128.343 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: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1760.303403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.303403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.303403 (E_RNA) where: Base-Base interactions energy: -1187.342 where: short stacking energy: -537.492 Base-Backbone interact. energy: -1.775 local terms energy: -571.186666 where: bonds (distance) C4'-P energy: -119.277 bonds (distance) P-C4' energy: -144.131 flat angles C4'-P-C4' energy: -131.577 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -99.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1367.992402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.992402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.992402 (E_RNA) where: Base-Base interactions energy: -904.766 where: short stacking energy: -437.175 Base-Backbone interact. energy: 13.131 local terms energy: -476.357537 where: bonds (distance) C4'-P energy: -104.213 bonds (distance) P-C4' energy: -110.905 flat angles C4'-P-C4' energy: -114.088 flat angles P-C4'-P energy: -66.081 tors. eta vs tors. theta energy: -81.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2933.443324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.443324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.443324 (E_RNA) where: Base-Base interactions energy: -2082.151 where: short stacking energy: -899.538 Base-Backbone interact. energy: 0.457 local terms energy: -851.749784 where: bonds (distance) C4'-P energy: -161.367 bonds (distance) P-C4' energy: -159.295 flat angles C4'-P-C4' energy: -172.854 flat angles P-C4'-P energy: -118.447 tors. eta vs tors. theta energy: -239.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2811.670251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.670251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.670251 (E_RNA) where: Base-Base interactions energy: -1969.756 where: short stacking energy: -876.594 Base-Backbone interact. energy: 0.747 local terms energy: -842.661120 where: bonds (distance) C4'-P energy: -138.781 bonds (distance) P-C4' energy: -161.042 flat angles C4'-P-C4' energy: -188.690 flat angles P-C4'-P energy: -129.079 tors. eta vs tors. theta energy: -225.070 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: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2747.107637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.107637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.107637 (E_RNA) where: Base-Base interactions energy: -1954.994 where: short stacking energy: -817.069 Base-Backbone interact. energy: 2.688 local terms energy: -794.800957 where: bonds (distance) C4'-P energy: -145.910 bonds (distance) P-C4' energy: -143.374 flat angles C4'-P-C4' energy: -178.826 flat angles P-C4'-P energy: -125.376 tors. eta vs tors. theta energy: -201.315 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: 131 Temperature: 1.050000 Total energy: -2640.078523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.078523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.078523 (E_RNA) where: Base-Base interactions energy: -1854.544 where: short stacking energy: -806.265 Base-Backbone interact. energy: 1.269 local terms energy: -786.802872 where: bonds (distance) C4'-P energy: -161.536 bonds (distance) P-C4' energy: -148.130 flat angles C4'-P-C4' energy: -175.184 flat angles P-C4'-P energy: -93.144 tors. eta vs tors. theta energy: -208.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2459.041525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.041525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.041525 (E_RNA) where: Base-Base interactions energy: -1716.357 where: short stacking energy: -721.482 Base-Backbone interact. energy: -0.760 local terms energy: -741.925329 where: bonds (distance) C4'-P energy: -117.031 bonds (distance) P-C4' energy: -140.523 flat angles C4'-P-C4' energy: -171.247 flat angles P-C4'-P energy: -109.430 tors. eta vs tors. theta energy: -203.694 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: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2273.087837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.087837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.087837 (E_RNA) where: Base-Base interactions energy: -1588.745 where: short stacking energy: -670.760 Base-Backbone interact. energy: -1.806 local terms energy: -682.536607 where: bonds (distance) C4'-P energy: -132.710 bonds (distance) P-C4' energy: -133.072 flat angles C4'-P-C4' energy: -159.416 flat angles P-C4'-P energy: -85.582 tors. eta vs tors. theta energy: -171.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -2236.320193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.320193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.320193 (E_RNA) where: Base-Base interactions energy: -1539.881 where: short stacking energy: -650.930 Base-Backbone interact. energy: 0.260 local terms energy: -696.698869 where: bonds (distance) C4'-P energy: -123.959 bonds (distance) P-C4' energy: -148.114 flat angles C4'-P-C4' energy: -151.827 flat angles P-C4'-P energy: -107.381 tors. eta vs tors. theta energy: -165.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1902.317857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.317857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.317857 (E_RNA) where: Base-Base interactions energy: -1306.408 where: short stacking energy: -584.200 Base-Backbone interact. energy: 8.699 local terms energy: -604.609189 where: bonds (distance) C4'-P energy: -102.396 bonds (distance) P-C4' energy: -150.327 flat angles C4'-P-C4' energy: -136.605 flat angles P-C4'-P energy: -91.562 tors. eta vs tors. theta energy: -123.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1700.996435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.996435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.996435 (E_RNA) where: Base-Base interactions energy: -1153.845 where: short stacking energy: -506.600 Base-Backbone interact. energy: -2.693 local terms energy: -544.458368 where: bonds (distance) C4'-P energy: -107.720 bonds (distance) P-C4' energy: -119.328 flat angles C4'-P-C4' energy: -130.999 flat angles P-C4'-P energy: -89.263 tors. eta vs tors. theta energy: -97.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1329.400876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.400876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.400876 (E_RNA) where: Base-Base interactions energy: -846.918 where: short stacking energy: -399.884 Base-Backbone interact. energy: 0.631 local terms energy: -483.114406 where: bonds (distance) C4'-P energy: -112.092 bonds (distance) P-C4' energy: -124.162 flat angles C4'-P-C4' energy: -102.775 flat angles P-C4'-P energy: -90.368 tors. eta vs tors. theta energy: -53.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2960.652263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.652263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.652263 (E_RNA) where: Base-Base interactions energy: -2103.424 where: short stacking energy: -875.165 Base-Backbone interact. energy: -2.692 local terms energy: -854.536787 where: bonds (distance) C4'-P energy: -164.195 bonds (distance) P-C4' energy: -159.618 flat angles C4'-P-C4' energy: -172.598 flat angles P-C4'-P energy: -125.273 tors. eta vs tors. theta energy: -232.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2857.570355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.570355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.570355 (E_RNA) where: Base-Base interactions energy: -2002.805 where: short stacking energy: -860.970 Base-Backbone interact. energy: -2.225 local terms energy: -852.540321 where: bonds (distance) C4'-P energy: -152.934 bonds (distance) P-C4' energy: -153.662 flat angles C4'-P-C4' energy: -187.732 flat angles P-C4'-P energy: -132.635 tors. eta vs tors. theta energy: -225.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2747.923115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.923115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.923115 (E_RNA) where: Base-Base interactions energy: -1937.587 where: short stacking energy: -802.497 Base-Backbone interact. energy: -4.390 local terms energy: -805.945471 where: bonds (distance) C4'-P energy: -166.804 bonds (distance) P-C4' energy: -137.177 flat angles C4'-P-C4' energy: -169.708 flat angles P-C4'-P energy: -125.091 tors. eta vs tors. theta energy: -207.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2639.266684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.266684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.266684 (E_RNA) where: Base-Base interactions energy: -1850.884 where: short stacking energy: -790.375 Base-Backbone interact. energy: -5.089 local terms energy: -783.294022 where: bonds (distance) C4'-P energy: -135.032 bonds (distance) P-C4' energy: -151.600 flat angles C4'-P-C4' energy: -168.788 flat angles P-C4'-P energy: -110.756 tors. eta vs tors. theta energy: -217.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2449.816172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.816172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.816172 (E_RNA) where: Base-Base interactions energy: -1724.713 where: short stacking energy: -752.564 Base-Backbone interact. energy: -2.474 local terms energy: -722.629815 where: bonds (distance) C4'-P energy: -132.585 bonds (distance) P-C4' energy: -150.071 flat angles C4'-P-C4' energy: -148.903 flat angles P-C4'-P energy: -99.226 tors. eta vs tors. theta energy: -191.846 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: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2295.571540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.571540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.571540 (E_RNA) where: Base-Base interactions energy: -1600.522 where: short stacking energy: -681.608 Base-Backbone interact. energy: -3.146 local terms energy: -691.904266 where: bonds (distance) C4'-P energy: -129.819 bonds (distance) P-C4' energy: -143.893 flat angles C4'-P-C4' energy: -142.861 flat angles P-C4'-P energy: -87.716 tors. eta vs tors. theta energy: -187.615 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: 7, replica: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2289.428731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.428731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.428731 (E_RNA) where: Base-Base interactions energy: -1625.829 where: short stacking energy: -664.202 Base-Backbone interact. energy: -3.863 local terms energy: -659.736864 where: bonds (distance) C4'-P energy: -129.661 bonds (distance) P-C4' energy: -130.738 flat angles C4'-P-C4' energy: -154.033 flat angles P-C4'-P energy: -90.528 tors. eta vs tors. theta energy: -154.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1878.115934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.115934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.115934 (E_RNA) where: Base-Base interactions energy: -1283.233 where: short stacking energy: -546.952 Base-Backbone interact. energy: 9.707 local terms energy: -604.589503 where: bonds (distance) C4'-P energy: -114.992 bonds (distance) P-C4' energy: -152.814 flat angles C4'-P-C4' energy: -144.660 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: -104.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1671.166987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.166987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.166987 (E_RNA) where: Base-Base interactions energy: -1114.009 where: short stacking energy: -505.655 Base-Backbone interact. energy: -2.347 local terms energy: -554.811494 where: bonds (distance) C4'-P energy: -123.742 bonds (distance) P-C4' energy: -102.933 flat angles C4'-P-C4' energy: -134.379 flat angles P-C4'-P energy: -88.217 tors. eta vs tors. theta energy: -105.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1313.664213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.664213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.664213 (E_RNA) where: Base-Base interactions energy: -821.594 where: short stacking energy: -387.756 Base-Backbone interact. energy: 2.974 local terms energy: -495.044106 where: bonds (distance) C4'-P energy: -119.330 bonds (distance) P-C4' energy: -138.887 flat angles C4'-P-C4' energy: -121.338 flat angles P-C4'-P energy: -73.496 tors. eta vs tors. theta energy: -41.994 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: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2967.134428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.134428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.134428 (E_RNA) where: Base-Base interactions energy: -2101.108 where: short stacking energy: -885.292 Base-Backbone interact. energy: -7.062 local terms energy: -858.964247 where: bonds (distance) C4'-P energy: -156.810 bonds (distance) P-C4' energy: -161.318 flat angles C4'-P-C4' energy: -178.482 flat angles P-C4'-P energy: -119.910 tors. eta vs tors. theta energy: -242.444 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: 133 Temperature: 0.950000 Total energy: -2843.063888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.063888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.063888 (E_RNA) where: Base-Base interactions energy: -1992.901 where: short stacking energy: -853.655 Base-Backbone interact. energy: -1.879 local terms energy: -848.284384 where: bonds (distance) C4'-P energy: -154.361 bonds (distance) P-C4' energy: -172.725 flat angles C4'-P-C4' energy: -173.868 flat angles P-C4'-P energy: -120.309 tors. eta vs tors. theta energy: -227.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2757.052953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.052953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.052953 (E_RNA) where: Base-Base interactions energy: -1989.704 where: short stacking energy: -819.956 Base-Backbone interact. energy: -1.931 local terms energy: -765.417361 where: bonds (distance) C4'-P energy: -148.045 bonds (distance) P-C4' energy: -138.642 flat angles C4'-P-C4' energy: -170.325 flat angles P-C4'-P energy: -103.778 tors. eta vs tors. theta energy: -204.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2603.225605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.225605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.225605 (E_RNA) where: Base-Base interactions energy: -1799.533 where: short stacking energy: -774.132 Base-Backbone interact. energy: -5.520 local terms energy: -798.172442 where: bonds (distance) C4'-P energy: -150.363 bonds (distance) P-C4' energy: -157.311 flat angles C4'-P-C4' energy: -167.125 flat angles P-C4'-P energy: -110.232 tors. eta vs tors. theta energy: -213.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2432.732876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.732876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.732876 (E_RNA) where: Base-Base interactions energy: -1700.728 where: short stacking energy: -736.436 Base-Backbone interact. energy: 0.102 local terms energy: -732.107159 where: bonds (distance) C4'-P energy: -124.886 bonds (distance) P-C4' energy: -142.386 flat angles C4'-P-C4' energy: -167.329 flat angles P-C4'-P energy: -90.813 tors. eta vs tors. theta energy: -206.693 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: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2345.525599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.525599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.525599 (E_RNA) where: Base-Base interactions energy: -1649.018 where: short stacking energy: -697.706 Base-Backbone interact. energy: -2.607 local terms energy: -693.900313 where: bonds (distance) C4'-P energy: -146.122 bonds (distance) P-C4' energy: -130.310 flat angles C4'-P-C4' energy: -145.025 flat angles P-C4'-P energy: -93.044 tors. eta vs tors. theta energy: -179.399 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: 7, replica: 10 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2258.407406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.407406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.407406 (E_RNA) where: Base-Base interactions energy: -1585.056 where: short stacking energy: -665.150 Base-Backbone interact. energy: -6.431 local terms energy: -666.920738 where: bonds (distance) C4'-P energy: -136.384 bonds (distance) P-C4' energy: -121.512 flat angles C4'-P-C4' energy: -145.726 flat angles P-C4'-P energy: -86.706 tors. eta vs tors. theta energy: -176.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1850.596518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.596518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.596518 (E_RNA) where: Base-Base interactions energy: -1231.534 where: short stacking energy: -530.423 Base-Backbone interact. energy: -1.028 local terms energy: -618.034565 where: bonds (distance) C4'-P energy: -122.255 bonds (distance) P-C4' energy: -130.442 flat angles C4'-P-C4' energy: -153.090 flat angles P-C4'-P energy: -91.465 tors. eta vs tors. theta energy: -120.781 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: 6 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1774.912100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.912100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.912100 (E_RNA) where: Base-Base interactions energy: -1191.269 where: short stacking energy: -536.084 Base-Backbone interact. energy: 1.379 local terms energy: -585.021952 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -137.710 flat angles C4'-P-C4' energy: -141.464 flat angles P-C4'-P energy: -92.832 tors. eta vs tors. theta energy: -110.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1387.320564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.320564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.320564 (E_RNA) where: Base-Base interactions energy: -947.425 where: short stacking energy: -436.712 Base-Backbone interact. energy: -0.153 local terms energy: -439.742901 where: bonds (distance) C4'-P energy: -106.121 bonds (distance) P-C4' energy: -107.785 flat angles C4'-P-C4' energy: -100.004 flat angles P-C4'-P energy: -61.339 tors. eta vs tors. theta energy: -64.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2966.890556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.890556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.890556 (E_RNA) where: Base-Base interactions energy: -2109.018 where: short stacking energy: -897.263 Base-Backbone interact. energy: -3.972 local terms energy: -853.900614 where: bonds (distance) C4'-P energy: -146.075 bonds (distance) P-C4' energy: -170.612 flat angles C4'-P-C4' energy: -179.766 flat angles P-C4'-P energy: -120.096 tors. eta vs tors. theta energy: -237.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2844.586127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.586127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.586127 (E_RNA) where: Base-Base interactions energy: -2006.059 where: short stacking energy: -835.699 Base-Backbone interact. energy: -7.135 local terms energy: -831.391965 where: bonds (distance) C4'-P energy: -165.579 bonds (distance) P-C4' energy: -142.201 flat angles C4'-P-C4' energy: -184.539 flat angles P-C4'-P energy: -118.130 tors. eta vs tors. theta energy: -220.943 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: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2751.986213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.986213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.986213 (E_RNA) where: Base-Base interactions energy: -1965.288 where: short stacking energy: -834.342 Base-Backbone interact. energy: -3.553 local terms energy: -783.145136 where: bonds (distance) C4'-P energy: -147.444 bonds (distance) P-C4' energy: -156.909 flat angles C4'-P-C4' energy: -162.334 flat angles P-C4'-P energy: -112.194 tors. eta vs tors. theta energy: -204.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2613.732759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.732759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.732759 (E_RNA) where: Base-Base interactions energy: -1860.785 where: short stacking energy: -775.851 Base-Backbone interact. energy: -1.653 local terms energy: -751.294708 where: bonds (distance) C4'-P energy: -132.291 bonds (distance) P-C4' energy: -144.459 flat angles C4'-P-C4' energy: -173.337 flat angles P-C4'-P energy: -104.583 tors. eta vs tors. theta energy: -196.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2471.064881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.064881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.064881 (E_RNA) where: Base-Base interactions energy: -1718.583 where: short stacking energy: -718.713 Base-Backbone interact. energy: -2.211 local terms energy: -750.270404 where: bonds (distance) C4'-P energy: -128.568 bonds (distance) P-C4' energy: -150.742 flat angles C4'-P-C4' energy: -168.550 flat angles P-C4'-P energy: -115.688 tors. eta vs tors. theta energy: -186.723 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: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2411.897271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.897271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.897271 (E_RNA) where: Base-Base interactions energy: -1726.283 where: short stacking energy: -736.506 Base-Backbone interact. energy: -1.516 local terms energy: -684.098206 where: bonds (distance) C4'-P energy: -122.405 bonds (distance) P-C4' energy: -116.837 flat angles C4'-P-C4' energy: -159.415 flat angles P-C4'-P energy: -85.094 tors. eta vs tors. theta energy: -200.347 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: 10 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -2242.179696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.179696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.179696 (E_RNA) where: Base-Base interactions energy: -1575.586 where: short stacking energy: -654.952 Base-Backbone interact. energy: -5.235 local terms energy: -661.358513 where: bonds (distance) C4'-P energy: -120.679 bonds (distance) P-C4' energy: -128.807 flat angles C4'-P-C4' energy: -158.511 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -151.505 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: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1816.790423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.790423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.790423 (E_RNA) where: Base-Base interactions energy: -1233.117 where: short stacking energy: -551.766 Base-Backbone interact. energy: 0.091 local terms energy: -583.764556 where: bonds (distance) C4'-P energy: -131.359 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -138.100 flat angles P-C4'-P energy: -89.564 tors. eta vs tors. theta energy: -110.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1762.706806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.706806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.706806 (E_RNA) where: Base-Base interactions energy: -1166.528 where: short stacking energy: -527.635 Base-Backbone interact. energy: -0.511 local terms energy: -595.668117 where: bonds (distance) C4'-P energy: -131.266 bonds (distance) P-C4' energy: -132.732 flat angles C4'-P-C4' energy: -143.797 flat angles P-C4'-P energy: -79.865 tors. eta vs tors. theta energy: -108.007 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: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1395.124045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.124045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.124045 (E_RNA) where: Base-Base interactions energy: -909.431 where: short stacking energy: -394.205 Base-Backbone interact. energy: -2.438 local terms energy: -483.255173 where: bonds (distance) C4'-P energy: -126.583 bonds (distance) P-C4' energy: -128.106 flat angles C4'-P-C4' energy: -132.177 flat angles P-C4'-P energy: -46.932 tors. eta vs tors. theta energy: -49.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2930.296353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.296353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.296353 (E_RNA) where: Base-Base interactions energy: -2104.021 where: short stacking energy: -891.994 Base-Backbone interact. energy: -3.633 local terms energy: -822.641832 where: bonds (distance) C4'-P energy: -149.611 bonds (distance) P-C4' energy: -161.070 flat angles C4'-P-C4' energy: -170.311 flat angles P-C4'-P energy: -106.623 tors. eta vs tors. theta energy: -235.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2828.638900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.638900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.638900 (E_RNA) where: Base-Base interactions energy: -1984.326 where: short stacking energy: -839.343 Base-Backbone interact. energy: -5.178 local terms energy: -839.135132 where: bonds (distance) C4'-P energy: -152.957 bonds (distance) P-C4' energy: -160.100 flat angles C4'-P-C4' energy: -185.923 flat angles P-C4'-P energy: -119.501 tors. eta vs tors. theta energy: -220.653 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: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2767.817477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.817477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.817477 (E_RNA) where: Base-Base interactions energy: -1965.497 where: short stacking energy: -807.028 Base-Backbone interact. energy: -4.459 local terms energy: -797.861547 where: bonds (distance) C4'-P energy: -139.764 bonds (distance) P-C4' energy: -161.348 flat angles C4'-P-C4' energy: -176.383 flat angles P-C4'-P energy: -116.786 tors. eta vs tors. theta energy: -203.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2624.992408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.992408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.992408 (E_RNA) where: Base-Base interactions energy: -1872.797 where: short stacking energy: -785.563 Base-Backbone interact. energy: -2.256 local terms energy: -749.939180 where: bonds (distance) C4'-P energy: -139.031 bonds (distance) P-C4' energy: -149.639 flat angles C4'-P-C4' energy: -170.621 flat angles P-C4'-P energy: -92.047 tors. eta vs tors. theta energy: -198.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2492.749214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.749214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.749214 (E_RNA) where: Base-Base interactions energy: -1755.078 where: short stacking energy: -731.181 Base-Backbone interact. energy: -1.977 local terms energy: -735.694785 where: bonds (distance) C4'-P energy: -138.903 bonds (distance) P-C4' energy: -136.403 flat angles C4'-P-C4' energy: -168.532 flat angles P-C4'-P energy: -105.087 tors. eta vs tors. theta energy: -186.771 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: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2386.524782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.524782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.524782 (E_RNA) where: Base-Base interactions energy: -1647.153 where: short stacking energy: -722.332 Base-Backbone interact. energy: -3.284 local terms energy: -736.088288 where: bonds (distance) C4'-P energy: -116.780 bonds (distance) P-C4' energy: -156.015 flat angles C4'-P-C4' energy: -171.030 flat angles P-C4'-P energy: -90.344 tors. eta vs tors. theta energy: -201.920 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: 10 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2209.142579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.142579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.142579 (E_RNA) where: Base-Base interactions energy: -1586.231 where: short stacking energy: -663.034 Base-Backbone interact. energy: 4.377 local terms energy: -627.288768 where: bonds (distance) C4'-P energy: -132.324 bonds (distance) P-C4' energy: -136.743 flat angles C4'-P-C4' energy: -140.707 flat angles P-C4'-P energy: -74.257 tors. eta vs tors. theta energy: -143.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1778.328492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.328492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.328492 (E_RNA) where: Base-Base interactions energy: -1235.182 where: short stacking energy: -509.679 Base-Backbone interact. energy: 7.935 local terms energy: -551.081511 where: bonds (distance) C4'-P energy: -111.763 bonds (distance) P-C4' energy: -132.018 flat angles C4'-P-C4' energy: -137.320 flat angles P-C4'-P energy: -71.334 tors. eta vs tors. theta energy: -98.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1743.693719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.693719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.693719 (E_RNA) where: Base-Base interactions energy: -1177.286 where: short stacking energy: -506.680 Base-Backbone interact. energy: -0.609 local terms energy: -565.798855 where: bonds (distance) C4'-P energy: -123.289 bonds (distance) P-C4' energy: -122.843 flat angles C4'-P-C4' energy: -134.996 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -98.947 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: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1351.413394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.413394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.413394 (E_RNA) where: Base-Base interactions energy: -873.582 where: short stacking energy: -401.549 Base-Backbone interact. energy: -3.922 local terms energy: -473.909805 where: bonds (distance) C4'-P energy: -105.474 bonds (distance) P-C4' energy: -119.054 flat angles C4'-P-C4' energy: -129.332 flat angles P-C4'-P energy: -74.163 tors. eta vs tors. theta energy: -45.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2903.897016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.897016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.897016 (E_RNA) where: Base-Base interactions energy: -2048.898 where: short stacking energy: -869.035 Base-Backbone interact. energy: -1.689 local terms energy: -853.310054 where: bonds (distance) C4'-P energy: -150.023 bonds (distance) P-C4' energy: -167.456 flat angles C4'-P-C4' energy: -178.725 flat angles P-C4'-P energy: -127.236 tors. eta vs tors. theta energy: -229.869 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: 136 Temperature: 0.950000 Total energy: -2831.967197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.967197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.967197 (E_RNA) where: Base-Base interactions energy: -2016.769 where: short stacking energy: -841.750 Base-Backbone interact. energy: -0.687 local terms energy: -814.511706 where: bonds (distance) C4'-P energy: -151.911 bonds (distance) P-C4' energy: -162.316 flat angles C4'-P-C4' energy: -165.319 flat angles P-C4'-P energy: -115.234 tors. eta vs tors. theta energy: -219.731 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: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2815.597037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.597037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.597037 (E_RNA) where: Base-Base interactions energy: -2005.797 where: short stacking energy: -844.152 Base-Backbone interact. energy: -0.451 local terms energy: -809.348423 where: bonds (distance) C4'-P energy: -143.177 bonds (distance) P-C4' energy: -150.493 flat angles C4'-P-C4' energy: -181.582 flat angles P-C4'-P energy: -114.025 tors. eta vs tors. theta energy: -220.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2642.180912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.180912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.180912 (E_RNA) where: Base-Base interactions energy: -1870.523 where: short stacking energy: -783.258 Base-Backbone interact. energy: 0.372 local terms energy: -772.030385 where: bonds (distance) C4'-P energy: -136.500 bonds (distance) P-C4' energy: -146.973 flat angles C4'-P-C4' energy: -175.331 flat angles P-C4'-P energy: -117.503 tors. eta vs tors. theta energy: -195.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2486.665966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.665966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.665966 (E_RNA) where: Base-Base interactions energy: -1765.242 where: short stacking energy: -755.242 Base-Backbone interact. energy: 4.696 local terms energy: -726.120303 where: bonds (distance) C4'-P energy: -139.233 bonds (distance) P-C4' energy: -147.264 flat angles C4'-P-C4' energy: -156.855 flat angles P-C4'-P energy: -93.083 tors. eta vs tors. theta energy: -189.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2411.434485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.434485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.434485 (E_RNA) where: Base-Base interactions energy: -1662.764 where: short stacking energy: -714.930 Base-Backbone interact. energy: -1.318 local terms energy: -747.352280 where: bonds (distance) C4'-P energy: -133.433 bonds (distance) P-C4' energy: -153.763 flat angles C4'-P-C4' energy: -158.888 flat angles P-C4'-P energy: -111.076 tors. eta vs tors. theta energy: -190.192 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: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -2215.845010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.845010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.845010 (E_RNA) where: Base-Base interactions energy: -1552.982 where: short stacking energy: -641.501 Base-Backbone interact. energy: -1.609 local terms energy: -661.254410 where: bonds (distance) C4'-P energy: -132.212 bonds (distance) P-C4' energy: -125.864 flat angles C4'-P-C4' energy: -151.835 flat angles P-C4'-P energy: -104.205 tors. eta vs tors. theta energy: -147.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1854.138094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.138094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.138094 (E_RNA) where: Base-Base interactions energy: -1263.614 where: short stacking energy: -553.521 Base-Backbone interact. energy: -5.836 local terms energy: -584.688132 where: bonds (distance) C4'-P energy: -126.040 bonds (distance) P-C4' energy: -136.054 flat angles C4'-P-C4' energy: -143.625 flat angles P-C4'-P energy: -63.549 tors. eta vs tors. theta energy: -115.420 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: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1738.957556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.957556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.957556 (E_RNA) where: Base-Base interactions energy: -1206.239 where: short stacking energy: -541.875 Base-Backbone interact. energy: 0.657 local terms energy: -533.375566 where: bonds (distance) C4'-P energy: -90.234 bonds (distance) P-C4' energy: -137.679 flat angles C4'-P-C4' energy: -104.987 flat angles P-C4'-P energy: -94.475 tors. eta vs tors. theta energy: -106.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1399.998074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.998074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.998074 (E_RNA) where: Base-Base interactions energy: -837.980 where: short stacking energy: -397.048 Base-Backbone interact. energy: 2.197 local terms energy: -564.214698 where: bonds (distance) C4'-P energy: -135.832 bonds (distance) P-C4' energy: -148.561 flat angles C4'-P-C4' energy: -135.686 flat angles P-C4'-P energy: -73.619 tors. eta vs tors. theta energy: -70.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2915.052202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.052202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.052202 (E_RNA) where: Base-Base interactions energy: -2064.022 where: short stacking energy: -861.511 Base-Backbone interact. energy: -3.177 local terms energy: -847.853300 where: bonds (distance) C4'-P energy: -165.817 bonds (distance) P-C4' energy: -153.756 flat angles C4'-P-C4' energy: -190.679 flat angles P-C4'-P energy: -114.293 tors. eta vs tors. theta energy: -223.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2819.645915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.645915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.645915 (E_RNA) where: Base-Base interactions energy: -1994.144 where: short stacking energy: -835.939 Base-Backbone interact. energy: -4.220 local terms energy: -821.282198 where: bonds (distance) C4'-P energy: -137.563 bonds (distance) P-C4' energy: -153.542 flat angles C4'-P-C4' energy: -181.997 flat angles P-C4'-P energy: -127.266 tors. eta vs tors. theta energy: -220.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2781.631172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.631172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.631172 (E_RNA) where: Base-Base interactions energy: -1956.346 where: short stacking energy: -816.141 Base-Backbone interact. energy: -1.742 local terms energy: -823.543424 where: bonds (distance) C4'-P energy: -154.891 bonds (distance) P-C4' energy: -145.289 flat angles C4'-P-C4' energy: -187.200 flat angles P-C4'-P energy: -118.025 tors. eta vs tors. theta energy: -218.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2597.774775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.774775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.774775 (E_RNA) where: Base-Base interactions energy: -1846.412 where: short stacking energy: -774.100 Base-Backbone interact. energy: -3.491 local terms energy: -747.871607 where: bonds (distance) C4'-P energy: -126.468 bonds (distance) P-C4' energy: -150.683 flat angles C4'-P-C4' energy: -170.839 flat angles P-C4'-P energy: -104.317 tors. eta vs tors. theta energy: -195.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2435.778683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.778683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.778683 (E_RNA) where: Base-Base interactions energy: -1674.465 where: short stacking energy: -724.203 Base-Backbone interact. energy: -5.799 local terms energy: -755.514954 where: bonds (distance) C4'-P energy: -132.739 bonds (distance) P-C4' energy: -155.759 flat angles C4'-P-C4' energy: -171.520 flat angles P-C4'-P energy: -109.055 tors. eta vs tors. theta energy: -186.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2407.764328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.764328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.764328 (E_RNA) where: Base-Base interactions energy: -1671.457 where: short stacking energy: -722.160 Base-Backbone interact. energy: -2.270 local terms energy: -734.036877 where: bonds (distance) C4'-P energy: -126.054 bonds (distance) P-C4' energy: -161.277 flat angles C4'-P-C4' energy: -155.690 flat angles P-C4'-P energy: -96.987 tors. eta vs tors. theta energy: -194.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2247.852977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.852977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.852977 (E_RNA) where: Base-Base interactions energy: -1596.048 where: short stacking energy: -646.544 Base-Backbone interact. energy: -1.158 local terms energy: -650.646206 where: bonds (distance) C4'-P energy: -134.293 bonds (distance) P-C4' energy: -130.931 flat angles C4'-P-C4' energy: -149.825 flat angles P-C4'-P energy: -87.241 tors. eta vs tors. theta energy: -148.356 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: 8, replica: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1831.909012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.909012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.909012 (E_RNA) where: Base-Base interactions energy: -1245.030 where: short stacking energy: -486.428 Base-Backbone interact. energy: -4.741 local terms energy: -582.138306 where: bonds (distance) C4'-P energy: -117.394 bonds (distance) P-C4' energy: -158.247 flat angles C4'-P-C4' energy: -145.456 flat angles P-C4'-P energy: -74.924 tors. eta vs tors. theta energy: -86.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1724.293067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.293067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.293067 (E_RNA) where: Base-Base interactions energy: -1163.957 where: short stacking energy: -516.215 Base-Backbone interact. energy: -2.427 local terms energy: -557.908764 where: bonds (distance) C4'-P energy: -129.109 bonds (distance) P-C4' energy: -131.657 flat angles C4'-P-C4' energy: -113.613 flat angles P-C4'-P energy: -76.471 tors. eta vs tors. theta energy: -107.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1416.518983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.518983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.518983 (E_RNA) where: Base-Base interactions energy: -909.632 where: short stacking energy: -408.487 Base-Backbone interact. energy: -0.931 local terms energy: -505.955941 where: bonds (distance) C4'-P energy: -124.015 bonds (distance) P-C4' energy: -117.693 flat angles C4'-P-C4' energy: -134.178 flat angles P-C4'-P energy: -65.688 tors. eta vs tors. theta energy: -64.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2914.776313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.776313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.776313 (E_RNA) where: Base-Base interactions energy: -2061.693 where: short stacking energy: -873.149 Base-Backbone interact. energy: -5.396 local terms energy: -847.687360 where: bonds (distance) C4'-P energy: -145.855 bonds (distance) P-C4' energy: -153.433 flat angles C4'-P-C4' energy: -183.805 flat angles P-C4'-P energy: -128.795 tors. eta vs tors. theta energy: -235.800 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: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2871.606973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.606973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.606973 (E_RNA) where: Base-Base interactions energy: -2042.111 where: short stacking energy: -873.688 Base-Backbone interact. energy: -6.592 local terms energy: -822.904328 where: bonds (distance) C4'-P energy: -147.776 bonds (distance) P-C4' energy: -166.469 flat angles C4'-P-C4' energy: -177.605 flat angles P-C4'-P energy: -109.246 tors. eta vs tors. theta energy: -221.807 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: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2711.782821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.782821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.782821 (E_RNA) where: Base-Base interactions energy: -1930.405 where: short stacking energy: -798.079 Base-Backbone interact. energy: -3.600 local terms energy: -777.777825 where: bonds (distance) C4'-P energy: -143.555 bonds (distance) P-C4' energy: -154.268 flat angles C4'-P-C4' energy: -166.401 flat angles P-C4'-P energy: -108.729 tors. eta vs tors. theta energy: -204.826 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: 138 Temperature: 1.050000 Total energy: -2556.598317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.598317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.598317 (E_RNA) where: Base-Base interactions energy: -1777.912 where: short stacking energy: -754.133 Base-Backbone interact. energy: 4.536 local terms energy: -783.222894 where: bonds (distance) C4'-P energy: -154.783 bonds (distance) P-C4' energy: -154.879 flat angles C4'-P-C4' energy: -166.380 flat angles P-C4'-P energy: -105.309 tors. eta vs tors. theta energy: -201.872 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: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2510.547275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.547275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.547275 (E_RNA) where: Base-Base interactions energy: -1717.897 where: short stacking energy: -771.995 Base-Backbone interact. energy: -2.751 local terms energy: -789.898636 where: bonds (distance) C4'-P energy: -129.197 bonds (distance) P-C4' energy: -147.603 flat angles C4'-P-C4' energy: -171.322 flat angles P-C4'-P energy: -121.678 tors. eta vs tors. theta energy: -220.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2467.894605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.894605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.894605 (E_RNA) where: Base-Base interactions energy: -1729.077 where: short stacking energy: -699.793 Base-Backbone interact. energy: -1.681 local terms energy: -737.135889 where: bonds (distance) C4'-P energy: -140.912 bonds (distance) P-C4' energy: -144.577 flat angles C4'-P-C4' energy: -161.133 flat angles P-C4'-P energy: -103.063 tors. eta vs tors. theta energy: -187.451 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: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2299.499969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.499969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.499969 (E_RNA) where: Base-Base interactions energy: -1612.431 where: short stacking energy: -701.962 Base-Backbone interact. energy: -5.784 local terms energy: -681.285008 where: bonds (distance) C4'-P energy: -119.320 bonds (distance) P-C4' energy: -131.169 flat angles C4'-P-C4' energy: -151.861 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -183.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1864.115432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.115432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.115432 (E_RNA) where: Base-Base interactions energy: -1268.814 where: short stacking energy: -553.389 Base-Backbone interact. energy: 6.059 local terms energy: -601.359812 where: bonds (distance) C4'-P energy: -140.118 bonds (distance) P-C4' energy: -145.325 flat angles C4'-P-C4' energy: -118.502 flat angles P-C4'-P energy: -80.945 tors. eta vs tors. theta energy: -116.470 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: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1763.954479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.954479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.954479 (E_RNA) where: Base-Base interactions energy: -1228.513 where: short stacking energy: -540.749 Base-Backbone interact. energy: -0.956 local terms energy: -534.485988 where: bonds (distance) C4'-P energy: -134.474 bonds (distance) P-C4' energy: -116.130 flat angles C4'-P-C4' energy: -126.595 flat angles P-C4'-P energy: -51.915 tors. eta vs tors. theta energy: -105.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1413.697831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.697831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.697831 (E_RNA) where: Base-Base interactions energy: -957.666 where: short stacking energy: -421.180 Base-Backbone interact. energy: 1.255 local terms energy: -457.287447 where: bonds (distance) C4'-P energy: -108.194 bonds (distance) P-C4' energy: -110.216 flat angles C4'-P-C4' energy: -136.569 flat angles P-C4'-P energy: -39.982 tors. eta vs tors. theta energy: -62.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2897.793573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.793573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.793573 (E_RNA) where: Base-Base interactions energy: -2039.475 where: short stacking energy: -835.843 Base-Backbone interact. energy: -4.548 local terms energy: -853.770557 where: bonds (distance) C4'-P energy: -157.981 bonds (distance) P-C4' energy: -166.380 flat angles C4'-P-C4' energy: -182.096 flat angles P-C4'-P energy: -130.974 tors. eta vs tors. theta energy: -216.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2856.643562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.643562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.643562 (E_RNA) where: Base-Base interactions energy: -2063.789 where: short stacking energy: -860.541 Base-Backbone interact. energy: -0.456 local terms energy: -792.398748 where: bonds (distance) C4'-P energy: -147.558 bonds (distance) P-C4' energy: -139.849 flat angles C4'-P-C4' energy: -171.275 flat angles P-C4'-P energy: -108.946 tors. eta vs tors. theta energy: -224.771 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: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2734.775555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.775555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.775555 (E_RNA) where: Base-Base interactions energy: -1921.393 where: short stacking energy: -818.666 Base-Backbone interact. energy: -3.072 local terms energy: -810.310518 where: bonds (distance) C4'-P energy: -152.735 bonds (distance) P-C4' energy: -150.233 flat angles C4'-P-C4' energy: -166.392 flat angles P-C4'-P energy: -122.761 tors. eta vs tors. theta energy: -218.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2558.575816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.575816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.575816 (E_RNA) where: Base-Base interactions energy: -1801.412 where: short stacking energy: -758.421 Base-Backbone interact. energy: -2.248 local terms energy: -754.916306 where: bonds (distance) C4'-P energy: -131.936 bonds (distance) P-C4' energy: -141.823 flat angles C4'-P-C4' energy: -174.809 flat angles P-C4'-P energy: -106.882 tors. eta vs tors. theta energy: -199.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2508.420584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.420584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.420584 (E_RNA) where: Base-Base interactions energy: -1742.589 where: short stacking energy: -728.758 Base-Backbone interact. energy: 0.045 local terms energy: -765.876086 where: bonds (distance) C4'-P energy: -153.681 bonds (distance) P-C4' energy: -130.663 flat angles C4'-P-C4' energy: -160.206 flat angles P-C4'-P energy: -121.276 tors. eta vs tors. theta energy: -200.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2408.784983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.784983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.784983 (E_RNA) where: Base-Base interactions energy: -1702.822 where: short stacking energy: -738.614 Base-Backbone interact. energy: -2.043 local terms energy: -703.919856 where: bonds (distance) C4'-P energy: -110.496 bonds (distance) P-C4' energy: -137.560 flat angles C4'-P-C4' energy: -163.603 flat angles P-C4'-P energy: -109.121 tors. eta vs tors. theta energy: -183.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -2219.301037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.301037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.301037 (E_RNA) where: Base-Base interactions energy: -1547.677 where: short stacking energy: -670.766 Base-Backbone interact. energy: -6.185 local terms energy: -665.439156 where: bonds (distance) C4'-P energy: -125.501 bonds (distance) P-C4' energy: -126.589 flat angles C4'-P-C4' energy: -152.983 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -168.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1850.543286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.543286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.543286 (E_RNA) where: Base-Base interactions energy: -1254.605 where: short stacking energy: -542.727 Base-Backbone interact. energy: 0.955 local terms energy: -596.893039 where: bonds (distance) C4'-P energy: -124.335 bonds (distance) P-C4' energy: -137.007 flat angles C4'-P-C4' energy: -143.176 flat angles P-C4'-P energy: -87.983 tors. eta vs tors. theta energy: -104.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1686.206440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.206440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.206440 (E_RNA) where: Base-Base interactions energy: -1132.957 where: short stacking energy: -508.084 Base-Backbone interact. energy: 0.611 local terms energy: -553.860426 where: bonds (distance) C4'-P energy: -119.974 bonds (distance) P-C4' energy: -133.651 flat angles C4'-P-C4' energy: -145.641 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: -99.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1387.050515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.050515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.050515 (E_RNA) where: Base-Base interactions energy: -904.616 where: short stacking energy: -420.017 Base-Backbone interact. energy: 2.738 local terms energy: -485.172811 where: bonds (distance) C4'-P energy: -114.731 bonds (distance) P-C4' energy: -130.280 flat angles C4'-P-C4' energy: -110.498 flat angles P-C4'-P energy: -74.029 tors. eta vs tors. theta energy: -55.636 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: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2909.617750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.617750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.617750 (E_RNA) where: Base-Base interactions energy: -2032.011 where: short stacking energy: -869.954 Base-Backbone interact. energy: -2.837 local terms energy: -874.769838 where: bonds (distance) C4'-P energy: -160.214 bonds (distance) P-C4' energy: -172.991 flat angles C4'-P-C4' energy: -193.398 flat angles P-C4'-P energy: -119.643 tors. eta vs tors. theta energy: -228.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2887.917150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.917150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.917150 (E_RNA) where: Base-Base interactions energy: -2055.460 where: short stacking energy: -870.166 Base-Backbone interact. energy: -1.887 local terms energy: -830.570709 where: bonds (distance) C4'-P energy: -171.184 bonds (distance) P-C4' energy: -146.124 flat angles C4'-P-C4' energy: -182.147 flat angles P-C4'-P energy: -100.138 tors. eta vs tors. theta energy: -230.977 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: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2722.556235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.556235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.556235 (E_RNA) where: Base-Base interactions energy: -1917.522 where: short stacking energy: -821.272 Base-Backbone interact. energy: -5.110 local terms energy: -799.924355 where: bonds (distance) C4'-P energy: -152.573 bonds (distance) P-C4' energy: -148.309 flat angles C4'-P-C4' energy: -170.055 flat angles P-C4'-P energy: -103.647 tors. eta vs tors. theta energy: -225.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2536.387787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.387787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.387787 (E_RNA) where: Base-Base interactions energy: -1793.390 where: short stacking energy: -757.043 Base-Backbone interact. energy: -1.687 local terms energy: -741.311168 where: bonds (distance) C4'-P energy: -128.396 bonds (distance) P-C4' energy: -156.361 flat angles C4'-P-C4' energy: -165.585 flat angles P-C4'-P energy: -104.994 tors. eta vs tors. theta energy: -185.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2567.901250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.901250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.901250 (E_RNA) where: Base-Base interactions energy: -1780.565 where: short stacking energy: -766.697 Base-Backbone interact. energy: 7.576 local terms energy: -794.912362 where: bonds (distance) C4'-P energy: -139.028 bonds (distance) P-C4' energy: -158.984 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -124.630 tors. eta vs tors. theta energy: -202.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2383.433923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.433923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.433923 (E_RNA) where: Base-Base interactions energy: -1676.415 where: short stacking energy: -704.742 Base-Backbone interact. energy: -0.919 local terms energy: -706.099307 where: bonds (distance) C4'-P energy: -134.243 bonds (distance) P-C4' energy: -144.640 flat angles C4'-P-C4' energy: -159.686 flat angles P-C4'-P energy: -87.469 tors. eta vs tors. theta energy: -180.062 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: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2301.071058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.071058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.071058 (E_RNA) where: Base-Base interactions energy: -1608.898 where: short stacking energy: -663.882 Base-Backbone interact. energy: 1.296 local terms energy: -693.469324 where: bonds (distance) C4'-P energy: -128.646 bonds (distance) P-C4' energy: -139.786 flat angles C4'-P-C4' energy: -160.505 flat angles P-C4'-P energy: -97.554 tors. eta vs tors. theta energy: -166.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1797.715719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.715719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.715719 (E_RNA) where: Base-Base interactions energy: -1233.429 where: short stacking energy: -536.681 Base-Backbone interact. energy: 6.070 local terms energy: -570.356878 where: bonds (distance) C4'-P energy: -115.989 bonds (distance) P-C4' energy: -138.539 flat angles C4'-P-C4' energy: -129.729 flat angles P-C4'-P energy: -86.093 tors. eta vs tors. theta energy: -100.006 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: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1722.938072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.938072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.938072 (E_RNA) where: Base-Base interactions energy: -1164.533 where: short stacking energy: -487.814 Base-Backbone interact. energy: 7.447 local terms energy: -565.852241 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -136.405 flat angles C4'-P-C4' energy: -130.042 flat angles P-C4'-P energy: -85.966 tors. eta vs tors. theta energy: -88.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1406.898243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.898243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.898243 (E_RNA) where: Base-Base interactions energy: -904.162 where: short stacking energy: -407.306 Base-Backbone interact. energy: -2.367 local terms energy: -500.369453 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -125.126 flat angles C4'-P-C4' energy: -104.465 flat angles P-C4'-P energy: -65.584 tors. eta vs tors. theta energy: -70.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2906.812467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.812467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.812467 (E_RNA) where: Base-Base interactions energy: -2043.905 where: short stacking energy: -854.496 Base-Backbone interact. energy: 0.318 local terms energy: -863.225417 where: bonds (distance) C4'-P energy: -153.346 bonds (distance) P-C4' energy: -163.273 flat angles C4'-P-C4' energy: -191.749 flat angles P-C4'-P energy: -131.614 tors. eta vs tors. theta energy: -223.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2864.095131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.095131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.095131 (E_RNA) where: Base-Base interactions energy: -2028.881 where: short stacking energy: -867.409 Base-Backbone interact. energy: -3.629 local terms energy: -831.585075 where: bonds (distance) C4'-P energy: -154.918 bonds (distance) P-C4' energy: -162.598 flat angles C4'-P-C4' energy: -169.815 flat angles P-C4'-P energy: -113.007 tors. eta vs tors. theta energy: -231.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2701.783199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.783199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.783199 (E_RNA) where: Base-Base interactions energy: -1902.267 where: short stacking energy: -813.771 Base-Backbone interact. energy: 3.735 local terms energy: -803.251065 where: bonds (distance) C4'-P energy: -155.338 bonds (distance) P-C4' energy: -164.619 flat angles C4'-P-C4' energy: -173.052 flat angles P-C4'-P energy: -94.150 tors. eta vs tors. theta energy: -216.091 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2577.796960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.796960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.796960 (E_RNA) where: Base-Base interactions energy: -1818.114 where: short stacking energy: -761.055 Base-Backbone interact. energy: -1.642 local terms energy: -758.041251 where: bonds (distance) C4'-P energy: -139.484 bonds (distance) P-C4' energy: -150.947 flat angles C4'-P-C4' energy: -165.442 flat angles P-C4'-P energy: -103.690 tors. eta vs tors. theta energy: -198.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2546.264877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.264877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.264877 (E_RNA) where: Base-Base interactions energy: -1792.247 where: short stacking energy: -786.376 Base-Backbone interact. energy: -4.171 local terms energy: -749.846526 where: bonds (distance) C4'-P energy: -140.119 bonds (distance) P-C4' energy: -141.230 flat angles C4'-P-C4' energy: -157.284 flat angles P-C4'-P energy: -100.107 tors. eta vs tors. theta energy: -211.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2376.651418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.651418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.651418 (E_RNA) where: Base-Base interactions energy: -1683.734 where: short stacking energy: -727.032 Base-Backbone interact. energy: -4.702 local terms energy: -688.215453 where: bonds (distance) C4'-P energy: -132.871 bonds (distance) P-C4' energy: -142.385 flat angles C4'-P-C4' energy: -144.961 flat angles P-C4'-P energy: -83.396 tors. eta vs tors. theta energy: -184.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2307.032141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.032141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.032141 (E_RNA) where: Base-Base interactions energy: -1617.326 where: short stacking energy: -676.977 Base-Backbone interact. energy: 0.050 local terms energy: -689.756612 where: bonds (distance) C4'-P energy: -129.008 bonds (distance) P-C4' energy: -144.919 flat angles C4'-P-C4' energy: -153.252 flat angles P-C4'-P energy: -93.469 tors. eta vs tors. theta energy: -169.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1806.281790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.281790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.281790 (E_RNA) where: Base-Base interactions energy: -1228.583 where: short stacking energy: -547.031 Base-Backbone interact. energy: 2.536 local terms energy: -580.234815 where: bonds (distance) C4'-P energy: -125.790 bonds (distance) P-C4' energy: -139.449 flat angles C4'-P-C4' energy: -130.743 flat angles P-C4'-P energy: -75.057 tors. eta vs tors. theta energy: -109.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1744.904420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.904420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.904420 (E_RNA) where: Base-Base interactions energy: -1182.040 where: short stacking energy: -502.046 Base-Backbone interact. energy: -3.934 local terms energy: -558.931024 where: bonds (distance) C4'-P energy: -138.824 bonds (distance) P-C4' energy: -130.616 flat angles C4'-P-C4' energy: -131.555 flat angles P-C4'-P energy: -67.677 tors. eta vs tors. theta energy: -90.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1347.310588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.310588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.310588 (E_RNA) where: Base-Base interactions energy: -837.230 where: short stacking energy: -384.805 Base-Backbone interact. energy: -2.331 local terms energy: -507.750056 where: bonds (distance) C4'-P energy: -137.674 bonds (distance) P-C4' energy: -112.637 flat angles C4'-P-C4' energy: -128.133 flat angles P-C4'-P energy: -71.929 tors. eta vs tors. theta energy: -57.377 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: 1, replica: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2944.837685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.837685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.837685 (E_RNA) where: Base-Base interactions energy: -2077.797 where: short stacking energy: -869.523 Base-Backbone interact. energy: -4.579 local terms energy: -862.462343 where: bonds (distance) C4'-P energy: -159.436 bonds (distance) P-C4' energy: -164.622 flat angles C4'-P-C4' energy: -182.320 flat angles P-C4'-P energy: -128.362 tors. eta vs tors. theta energy: -227.723 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: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2858.855938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.855938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.855938 (E_RNA) where: Base-Base interactions energy: -2022.816 where: short stacking energy: -861.042 Base-Backbone interact. energy: -0.242 local terms energy: -835.798449 where: bonds (distance) C4'-P energy: -145.085 bonds (distance) P-C4' energy: -160.231 flat angles C4'-P-C4' energy: -176.935 flat angles P-C4'-P energy: -131.617 tors. eta vs tors. theta energy: -221.931 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: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2724.800918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.800918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.800918 (E_RNA) where: Base-Base interactions energy: -1910.258 where: short stacking energy: -809.418 Base-Backbone interact. energy: 5.495 local terms energy: -820.037469 where: bonds (distance) C4'-P energy: -163.426 bonds (distance) P-C4' energy: -156.944 flat angles C4'-P-C4' energy: -174.985 flat angles P-C4'-P energy: -110.251 tors. eta vs tors. theta energy: -214.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2583.374699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.374699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.374699 (E_RNA) where: Base-Base interactions energy: -1799.542 where: short stacking energy: -784.876 Base-Backbone interact. energy: -3.853 local terms energy: -779.980187 where: bonds (distance) C4'-P energy: -151.898 bonds (distance) P-C4' energy: -140.174 flat angles C4'-P-C4' energy: -173.615 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -198.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2466.174873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.174873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.174873 (E_RNA) where: Base-Base interactions energy: -1716.504 where: short stacking energy: -735.336 Base-Backbone interact. energy: -3.766 local terms energy: -745.904932 where: bonds (distance) C4'-P energy: -137.659 bonds (distance) P-C4' energy: -150.314 flat angles C4'-P-C4' energy: -159.070 flat angles P-C4'-P energy: -96.514 tors. eta vs tors. theta energy: -202.349 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: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2417.307664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.307664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.307664 (E_RNA) where: Base-Base interactions energy: -1691.059 where: short stacking energy: -714.946 Base-Backbone interact. energy: -1.107 local terms energy: -725.141657 where: bonds (distance) C4'-P energy: -137.579 bonds (distance) P-C4' energy: -146.215 flat angles C4'-P-C4' energy: -150.724 flat angles P-C4'-P energy: -105.688 tors. eta vs tors. theta energy: -184.936 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: 7, replica: 10 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2269.323612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.323612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.323612 (E_RNA) where: Base-Base interactions energy: -1599.447 where: short stacking energy: -700.822 Base-Backbone interact. energy: -4.153 local terms energy: -665.723572 where: bonds (distance) C4'-P energy: -138.747 bonds (distance) P-C4' energy: -129.279 flat angles C4'-P-C4' energy: -132.632 flat angles P-C4'-P energy: -96.418 tors. eta vs tors. theta energy: -168.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1826.649620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.649620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.649620 (E_RNA) where: Base-Base interactions energy: -1216.256 where: short stacking energy: -547.622 Base-Backbone interact. energy: -2.787 local terms energy: -607.606606 where: bonds (distance) C4'-P energy: -126.337 bonds (distance) P-C4' energy: -134.141 flat angles C4'-P-C4' energy: -141.872 flat angles P-C4'-P energy: -97.968 tors. eta vs tors. theta energy: -107.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1747.769520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.769520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.769520 (E_RNA) where: Base-Base interactions energy: -1151.439 where: short stacking energy: -499.071 Base-Backbone interact. energy: -0.834 local terms energy: -595.496056 where: bonds (distance) C4'-P energy: -117.627 bonds (distance) P-C4' energy: -134.920 flat angles C4'-P-C4' energy: -145.206 flat angles P-C4'-P energy: -87.601 tors. eta vs tors. theta energy: -110.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1408.787658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.787658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.787658 (E_RNA) where: Base-Base interactions energy: -893.552 where: short stacking energy: -399.905 Base-Backbone interact. energy: -1.248 local terms energy: -513.987341 where: bonds (distance) C4'-P energy: -126.710 bonds (distance) P-C4' energy: -132.988 flat angles C4'-P-C4' energy: -121.275 flat angles P-C4'-P energy: -85.714 tors. eta vs tors. theta energy: -47.301 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: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2956.714198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.714198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.714198 (E_RNA) where: Base-Base interactions energy: -2092.414 where: short stacking energy: -853.595 Base-Backbone interact. energy: -2.356 local terms energy: -861.943710 where: bonds (distance) C4'-P energy: -154.338 bonds (distance) P-C4' energy: -169.201 flat angles C4'-P-C4' energy: -190.406 flat angles P-C4'-P energy: -120.102 tors. eta vs tors. theta energy: -227.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2863.684362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.684362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.684362 (E_RNA) where: Base-Base interactions energy: -2013.979 where: short stacking energy: -853.159 Base-Backbone interact. energy: 0.021 local terms energy: -849.726043 where: bonds (distance) C4'-P energy: -166.704 bonds (distance) P-C4' energy: -165.870 flat angles C4'-P-C4' energy: -176.861 flat angles P-C4'-P energy: -117.628 tors. eta vs tors. theta energy: -222.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2739.721888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.721888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.721888 (E_RNA) where: Base-Base interactions energy: -1971.194 where: short stacking energy: -827.226 Base-Backbone interact. energy: -3.783 local terms energy: -764.745250 where: bonds (distance) C4'-P energy: -118.717 bonds (distance) P-C4' energy: -151.360 flat angles C4'-P-C4' energy: -174.999 flat angles P-C4'-P energy: -110.869 tors. eta vs tors. theta energy: -208.800 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: 143 Temperature: 1.050000 Total energy: -2548.736148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.736148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.736148 (E_RNA) where: Base-Base interactions energy: -1798.535 where: short stacking energy: -751.575 Base-Backbone interact. energy: -0.109 local terms energy: -750.092238 where: bonds (distance) C4'-P energy: -140.602 bonds (distance) P-C4' energy: -143.430 flat angles C4'-P-C4' energy: -158.941 flat angles P-C4'-P energy: -98.668 tors. eta vs tors. theta energy: -208.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2481.085244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.085244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.085244 (E_RNA) where: Base-Base interactions energy: -1763.528 where: short stacking energy: -744.713 Base-Backbone interact. energy: -3.077 local terms energy: -714.480131 where: bonds (distance) C4'-P energy: -130.223 bonds (distance) P-C4' energy: -146.406 flat angles C4'-P-C4' energy: -145.807 flat angles P-C4'-P energy: -100.880 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: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2444.609004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.609004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.609004 (E_RNA) where: Base-Base interactions energy: -1702.180 where: short stacking energy: -721.870 Base-Backbone interact. energy: -3.690 local terms energy: -738.739830 where: bonds (distance) C4'-P energy: -142.268 bonds (distance) P-C4' energy: -135.087 flat angles C4'-P-C4' energy: -159.070 flat angles P-C4'-P energy: -104.390 tors. eta vs tors. theta energy: -197.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2238.252448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.252448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.252448 (E_RNA) where: Base-Base interactions energy: -1542.337 where: short stacking energy: -678.795 Base-Backbone interact. energy: -3.727 local terms energy: -692.187859 where: bonds (distance) C4'-P energy: -127.948 bonds (distance) P-C4' energy: -139.312 flat angles C4'-P-C4' energy: -162.964 flat angles P-C4'-P energy: -93.301 tors. eta vs tors. theta energy: -168.663 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: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1766.470502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.470502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.470502 (E_RNA) where: Base-Base interactions energy: -1200.708 where: short stacking energy: -538.853 Base-Backbone interact. energy: 1.039 local terms energy: -566.801588 where: bonds (distance) C4'-P energy: -118.720 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -138.570 flat angles P-C4'-P energy: -80.349 tors. eta vs tors. theta energy: -97.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1723.974962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.974962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.974962 (E_RNA) where: Base-Base interactions energy: -1158.006 where: short stacking energy: -521.542 Base-Backbone interact. energy: 2.293 local terms energy: -568.261556 where: bonds (distance) C4'-P energy: -126.092 bonds (distance) P-C4' energy: -139.583 flat angles C4'-P-C4' energy: -135.337 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -94.905 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: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1413.805414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.805414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.805414 (E_RNA) where: Base-Base interactions energy: -901.828 where: short stacking energy: -419.628 Base-Backbone interact. energy: 2.148 local terms energy: -514.124868 where: bonds (distance) C4'-P energy: -108.570 bonds (distance) P-C4' energy: -128.498 flat angles C4'-P-C4' energy: -123.412 flat angles P-C4'-P energy: -91.850 tors. eta vs tors. theta energy: -61.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2941.338448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.338448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.338448 (E_RNA) where: Base-Base interactions energy: -2095.030 where: short stacking energy: -860.804 Base-Backbone interact. energy: -6.342 local terms energy: -839.966464 where: bonds (distance) C4'-P energy: -147.222 bonds (distance) P-C4' energy: -163.455 flat angles C4'-P-C4' energy: -185.492 flat angles P-C4'-P energy: -114.437 tors. eta vs tors. theta energy: -229.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2818.393711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.393711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.393711 (E_RNA) where: Base-Base interactions energy: -1986.415 where: short stacking energy: -839.115 Base-Backbone interact. energy: -3.061 local terms energy: -828.918055 where: bonds (distance) C4'-P energy: -153.905 bonds (distance) P-C4' energy: -166.536 flat angles C4'-P-C4' energy: -176.357 flat angles P-C4'-P energy: -117.015 tors. eta vs tors. theta energy: -215.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2737.160493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.160493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.160493 (E_RNA) where: Base-Base interactions energy: -1939.050 where: short stacking energy: -829.186 Base-Backbone interact. energy: -3.111 local terms energy: -794.999866 where: bonds (distance) C4'-P energy: -148.059 bonds (distance) P-C4' energy: -142.005 flat angles C4'-P-C4' energy: -169.230 flat angles P-C4'-P energy: -120.401 tors. eta vs tors. theta energy: -215.305 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: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2578.539818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.539818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.539818 (E_RNA) where: Base-Base interactions energy: -1800.631 where: short stacking energy: -800.138 Base-Backbone interact. energy: -2.798 local terms energy: -775.111423 where: bonds (distance) C4'-P energy: -127.399 bonds (distance) P-C4' energy: -157.783 flat angles C4'-P-C4' energy: -176.130 flat angles P-C4'-P energy: -108.846 tors. eta vs tors. theta energy: -204.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2462.871964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.871964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.871964 (E_RNA) where: Base-Base interactions energy: -1724.232 where: short stacking energy: -739.571 Base-Backbone interact. energy: -7.097 local terms energy: -731.542870 where: bonds (distance) C4'-P energy: -146.384 bonds (distance) P-C4' energy: -138.883 flat angles C4'-P-C4' energy: -160.284 flat angles P-C4'-P energy: -89.726 tors. eta vs tors. theta energy: -196.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2386.518037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.518037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.518037 (E_RNA) where: Base-Base interactions energy: -1654.008 where: short stacking energy: -696.315 Base-Backbone interact. energy: 6.706 local terms energy: -739.215784 where: bonds (distance) C4'-P energy: -150.440 bonds (distance) P-C4' energy: -150.846 flat angles C4'-P-C4' energy: -150.798 flat angles P-C4'-P energy: -103.171 tors. eta vs tors. theta energy: -183.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2235.666933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.666933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.666933 (E_RNA) where: Base-Base interactions energy: -1577.519 where: short stacking energy: -669.620 Base-Backbone interact. energy: -3.503 local terms energy: -654.645251 where: bonds (distance) C4'-P energy: -124.031 bonds (distance) P-C4' energy: -125.386 flat angles C4'-P-C4' energy: -134.686 flat angles P-C4'-P energy: -104.512 tors. eta vs tors. theta energy: -166.030 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: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1828.606278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.606278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.606278 (E_RNA) where: Base-Base interactions energy: -1259.372 where: short stacking energy: -553.735 Base-Backbone interact. energy: 4.003 local terms energy: -573.237373 where: bonds (distance) C4'-P energy: -139.143 bonds (distance) P-C4' energy: -127.485 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -70.823 tors. eta vs tors. theta energy: -118.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1798.071786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.071786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.071786 (E_RNA) where: Base-Base interactions energy: -1236.616 where: short stacking energy: -549.320 Base-Backbone interact. energy: -4.569 local terms energy: -556.886941 where: bonds (distance) C4'-P energy: -97.985 bonds (distance) P-C4' energy: -133.379 flat angles C4'-P-C4' energy: -114.531 flat angles P-C4'-P energy: -90.333 tors. eta vs tors. theta energy: -120.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1339.254329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.254329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.254329 (E_RNA) where: Base-Base interactions energy: -847.924 where: short stacking energy: -400.567 Base-Backbone interact. energy: 1.649 local terms energy: -492.979235 where: bonds (distance) C4'-P energy: -127.693 bonds (distance) P-C4' energy: -143.743 flat angles C4'-P-C4' energy: -130.856 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -39.366 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: 145 Temperature: 0.900000 Total energy: -2991.236172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.236172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.236172 (E_RNA) where: Base-Base interactions energy: -2116.802 where: short stacking energy: -879.635 Base-Backbone interact. energy: -1.239 local terms energy: -873.195458 where: bonds (distance) C4'-P energy: -166.410 bonds (distance) P-C4' energy: -175.919 flat angles C4'-P-C4' energy: -178.897 flat angles P-C4'-P energy: -114.686 tors. eta vs tors. theta energy: -237.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2809.305493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.305493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.305493 (E_RNA) where: Base-Base interactions energy: -1987.945 where: short stacking energy: -846.506 Base-Backbone interact. energy: -0.518 local terms energy: -820.842868 where: bonds (distance) C4'-P energy: -160.739 bonds (distance) P-C4' energy: -135.999 flat angles C4'-P-C4' energy: -188.155 flat angles P-C4'-P energy: -105.780 tors. eta vs tors. theta energy: -230.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2699.012885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.012885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.012885 (E_RNA) where: Base-Base interactions energy: -1906.550 where: short stacking energy: -811.830 Base-Backbone interact. energy: -0.111 local terms energy: -792.351846 where: bonds (distance) C4'-P energy: -143.629 bonds (distance) P-C4' energy: -146.546 flat angles C4'-P-C4' energy: -175.702 flat angles P-C4'-P energy: -110.212 tors. eta vs tors. theta energy: -216.263 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: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2552.273496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.273496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.273496 (E_RNA) where: Base-Base interactions energy: -1805.329 where: short stacking energy: -769.608 Base-Backbone interact. energy: -0.882 local terms energy: -746.062540 where: bonds (distance) C4'-P energy: -127.090 bonds (distance) P-C4' energy: -155.019 flat angles C4'-P-C4' energy: -166.863 flat angles P-C4'-P energy: -92.383 tors. eta vs tors. theta energy: -204.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2517.324205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.324205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.324205 (E_RNA) where: Base-Base interactions energy: -1784.820 where: short stacking energy: -778.314 Base-Backbone interact. energy: -3.917 local terms energy: -728.586556 where: bonds (distance) C4'-P energy: -125.781 bonds (distance) P-C4' energy: -116.394 flat angles C4'-P-C4' energy: -167.504 flat angles P-C4'-P energy: -111.324 tors. eta vs tors. theta energy: -207.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2387.799427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.799427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.799427 (E_RNA) where: Base-Base interactions energy: -1673.397 where: short stacking energy: -751.477 Base-Backbone interact. energy: -4.249 local terms energy: -710.153393 where: bonds (distance) C4'-P energy: -117.000 bonds (distance) P-C4' energy: -147.795 flat angles C4'-P-C4' energy: -165.694 flat angles P-C4'-P energy: -89.658 tors. eta vs tors. theta energy: -190.006 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: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2220.400091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.400091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.400091 (E_RNA) where: Base-Base interactions energy: -1588.129 where: short stacking energy: -651.016 Base-Backbone interact. energy: -3.063 local terms energy: -629.208275 where: bonds (distance) C4'-P energy: -119.734 bonds (distance) P-C4' energy: -124.338 flat angles C4'-P-C4' energy: -153.730 flat angles P-C4'-P energy: -84.117 tors. eta vs tors. theta energy: -147.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1757.817176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.817176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.817176 (E_RNA) where: Base-Base interactions energy: -1182.803 where: short stacking energy: -517.480 Base-Backbone interact. energy: -1.824 local terms energy: -573.190164 where: bonds (distance) C4'-P energy: -116.069 bonds (distance) P-C4' energy: -134.050 flat angles C4'-P-C4' energy: -140.589 flat angles P-C4'-P energy: -82.940 tors. eta vs tors. theta energy: -99.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1792.792954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.792954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.792954 (E_RNA) where: Base-Base interactions energy: -1238.492 where: short stacking energy: -523.739 Base-Backbone interact. energy: -0.696 local terms energy: -553.604351 where: bonds (distance) C4'-P energy: -104.072 bonds (distance) P-C4' energy: -134.551 flat angles C4'-P-C4' energy: -119.015 flat angles P-C4'-P energy: -91.274 tors. eta vs tors. theta energy: -104.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1342.862546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.862546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.862546 (E_RNA) where: Base-Base interactions energy: -879.514 where: short stacking energy: -404.100 Base-Backbone interact. energy: 2.508 local terms energy: -465.856246 where: bonds (distance) C4'-P energy: -96.492 bonds (distance) P-C4' energy: -130.322 flat angles C4'-P-C4' energy: -137.141 flat angles P-C4'-P energy: -56.371 tors. eta vs tors. theta energy: -45.531 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: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2956.401567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.401567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.401567 (E_RNA) where: Base-Base interactions energy: -2128.540 where: short stacking energy: -909.682 Base-Backbone interact. energy: -5.547 local terms energy: -822.314558 where: bonds (distance) C4'-P energy: -143.368 bonds (distance) P-C4' energy: -156.845 flat angles C4'-P-C4' energy: -163.763 flat angles P-C4'-P energy: -121.774 tors. eta vs tors. theta energy: -236.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2816.850139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.850139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.850139 (E_RNA) where: Base-Base interactions energy: -1980.236 where: short stacking energy: -828.818 Base-Backbone interact. energy: -4.741 local terms energy: -831.872967 where: bonds (distance) C4'-P energy: -174.111 bonds (distance) P-C4' energy: -161.348 flat angles C4'-P-C4' energy: -169.104 flat angles P-C4'-P energy: -109.144 tors. eta vs tors. theta energy: -218.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2734.255343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.255343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.255343 (E_RNA) where: Base-Base interactions energy: -1932.407 where: short stacking energy: -806.323 Base-Backbone interact. energy: -1.192 local terms energy: -800.656546 where: bonds (distance) C4'-P energy: -154.483 bonds (distance) P-C4' energy: -157.029 flat angles C4'-P-C4' energy: -164.541 flat angles P-C4'-P energy: -122.855 tors. eta vs tors. theta energy: -201.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2584.641563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.641563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.641563 (E_RNA) where: Base-Base interactions energy: -1823.076 where: short stacking energy: -794.130 Base-Backbone interact. energy: 1.466 local terms energy: -763.031786 where: bonds (distance) C4'-P energy: -130.838 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -171.669 flat angles P-C4'-P energy: -115.461 tors. eta vs tors. theta energy: -214.137 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: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2478.706896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.706896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.706896 (E_RNA) where: Base-Base interactions energy: -1748.594 where: short stacking energy: -750.240 Base-Backbone interact. energy: -5.676 local terms energy: -724.436030 where: bonds (distance) C4'-P energy: -129.535 bonds (distance) P-C4' energy: -143.481 flat angles C4'-P-C4' energy: -156.718 flat angles P-C4'-P energy: -98.281 tors. eta vs tors. theta energy: -196.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2400.629943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.629943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.629943 (E_RNA) where: Base-Base interactions energy: -1677.655 where: short stacking energy: -727.839 Base-Backbone interact. energy: -2.187 local terms energy: -720.788566 where: bonds (distance) C4'-P energy: -118.171 bonds (distance) P-C4' energy: -136.487 flat angles C4'-P-C4' energy: -160.237 flat angles P-C4'-P energy: -100.865 tors. eta vs tors. theta energy: -205.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2261.618782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.618782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.618782 (E_RNA) where: Base-Base interactions energy: -1606.178 where: short stacking energy: -675.086 Base-Backbone interact. energy: -1.531 local terms energy: -653.909828 where: bonds (distance) C4'-P energy: -117.478 bonds (distance) P-C4' energy: -132.908 flat angles C4'-P-C4' energy: -144.381 flat angles P-C4'-P energy: -88.388 tors. eta vs tors. theta energy: -170.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1793.654059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.654059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.654059 (E_RNA) where: Base-Base interactions energy: -1234.970 where: short stacking energy: -523.068 Base-Backbone interact. energy: -5.609 local terms energy: -553.074999 where: bonds (distance) C4'-P energy: -108.401 bonds (distance) P-C4' energy: -132.306 flat angles C4'-P-C4' energy: -137.703 flat angles P-C4'-P energy: -88.469 tors. eta vs tors. theta energy: -86.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1796.948099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.948099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.948099 (E_RNA) where: Base-Base interactions energy: -1224.813 where: short stacking energy: -511.080 Base-Backbone interact. energy: 0.935 local terms energy: -573.069724 where: bonds (distance) C4'-P energy: -144.285 bonds (distance) P-C4' energy: -132.713 flat angles C4'-P-C4' energy: -123.283 flat angles P-C4'-P energy: -92.254 tors. eta vs tors. theta energy: -80.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1333.377545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.377545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.377545 (E_RNA) where: Base-Base interactions energy: -827.678 where: short stacking energy: -401.940 Base-Backbone interact. energy: 1.501 local terms energy: -507.200951 where: bonds (distance) C4'-P energy: -129.337 bonds (distance) P-C4' energy: -129.680 flat angles C4'-P-C4' energy: -125.983 flat angles P-C4'-P energy: -55.565 tors. eta vs tors. theta energy: -66.636 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: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2960.712997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.712997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.712997 (E_RNA) where: Base-Base interactions energy: -2123.141 where: short stacking energy: -868.420 Base-Backbone interact. energy: -3.005 local terms energy: -834.566805 where: bonds (distance) C4'-P energy: -159.056 bonds (distance) P-C4' energy: -154.075 flat angles C4'-P-C4' energy: -177.322 flat angles P-C4'-P energy: -115.939 tors. eta vs tors. theta energy: -228.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2850.319974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.319974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.319974 (E_RNA) where: Base-Base interactions energy: -2009.946 where: short stacking energy: -869.342 Base-Backbone interact. energy: -2.261 local terms energy: -838.113525 where: bonds (distance) C4'-P energy: -157.224 bonds (distance) P-C4' energy: -155.220 flat angles C4'-P-C4' energy: -169.913 flat angles P-C4'-P energy: -123.914 tors. eta vs tors. theta energy: -231.842 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: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2768.928095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.928095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.928095 (E_RNA) where: Base-Base interactions energy: -1970.796 where: short stacking energy: -815.001 Base-Backbone interact. energy: -3.353 local terms energy: -794.779602 where: bonds (distance) C4'-P energy: -162.633 bonds (distance) P-C4' energy: -145.354 flat angles C4'-P-C4' energy: -181.321 flat angles P-C4'-P energy: -102.094 tors. eta vs tors. theta energy: -203.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2556.480941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.480941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.480941 (E_RNA) where: Base-Base interactions energy: -1792.531 where: short stacking energy: -794.121 Base-Backbone interact. energy: 2.020 local terms energy: -765.970076 where: bonds (distance) C4'-P energy: -135.972 bonds (distance) P-C4' energy: -132.086 flat angles C4'-P-C4' energy: -179.618 flat angles P-C4'-P energy: -108.949 tors. eta vs tors. theta energy: -209.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2487.038875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.038875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.038875 (E_RNA) where: Base-Base interactions energy: -1773.973 where: short stacking energy: -727.821 Base-Backbone interact. energy: -1.844 local terms energy: -711.222570 where: bonds (distance) C4'-P energy: -135.451 bonds (distance) P-C4' energy: -152.607 flat angles C4'-P-C4' energy: -155.353 flat angles P-C4'-P energy: -79.134 tors. eta vs tors. theta energy: -188.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2427.011081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.011081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.011081 (E_RNA) where: Base-Base interactions energy: -1679.292 where: short stacking energy: -724.909 Base-Backbone interact. energy: -2.787 local terms energy: -744.932362 where: bonds (distance) C4'-P energy: -151.591 bonds (distance) P-C4' energy: -143.138 flat angles C4'-P-C4' energy: -148.536 flat angles P-C4'-P energy: -112.274 tors. eta vs tors. theta energy: -189.394 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: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2301.697365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.697365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.697365 (E_RNA) where: Base-Base interactions energy: -1593.284 where: short stacking energy: -655.493 Base-Backbone interact. energy: 0.143 local terms energy: -708.556009 where: bonds (distance) C4'-P energy: -133.926 bonds (distance) P-C4' energy: -135.895 flat angles C4'-P-C4' energy: -155.129 flat angles P-C4'-P energy: -104.209 tors. eta vs tors. theta energy: -179.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1871.514605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.514605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.514605 (E_RNA) where: Base-Base interactions energy: -1282.688 where: short stacking energy: -555.306 Base-Backbone interact. energy: -6.588 local terms energy: -582.238903 where: bonds (distance) C4'-P energy: -104.790 bonds (distance) P-C4' energy: -131.723 flat angles C4'-P-C4' energy: -161.413 flat angles P-C4'-P energy: -79.300 tors. eta vs tors. theta energy: -105.013 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: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1672.328394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.328394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.328394 (E_RNA) where: Base-Base interactions energy: -1109.142 where: short stacking energy: -495.086 Base-Backbone interact. energy: 4.023 local terms energy: -567.209759 where: bonds (distance) C4'-P energy: -112.073 bonds (distance) P-C4' energy: -140.856 flat angles C4'-P-C4' energy: -127.031 flat angles P-C4'-P energy: -79.319 tors. eta vs tors. theta energy: -107.931 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: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1314.203030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.203030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.203030 (E_RNA) where: Base-Base interactions energy: -836.250 where: short stacking energy: -388.395 Base-Backbone interact. energy: -0.242 local terms energy: -477.710617 where: bonds (distance) C4'-P energy: -105.899 bonds (distance) P-C4' energy: -137.871 flat angles C4'-P-C4' energy: -121.314 flat angles P-C4'-P energy: -71.708 tors. eta vs tors. theta energy: -40.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2957.835345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.835345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.835345 (E_RNA) where: Base-Base interactions energy: -2112.469 where: short stacking energy: -878.789 Base-Backbone interact. energy: -4.142 local terms energy: -841.224677 where: bonds (distance) C4'-P energy: -144.130 bonds (distance) P-C4' energy: -151.185 flat angles C4'-P-C4' energy: -192.919 flat angles P-C4'-P energy: -123.362 tors. eta vs tors. theta energy: -229.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2846.354337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.354337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.354337 (E_RNA) where: Base-Base interactions energy: -2017.405 where: short stacking energy: -827.479 Base-Backbone interact. energy: -2.891 local terms energy: -826.057892 where: bonds (distance) C4'-P energy: -159.215 bonds (distance) P-C4' energy: -171.923 flat angles C4'-P-C4' energy: -176.148 flat angles P-C4'-P energy: -109.382 tors. eta vs tors. theta energy: -209.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2750.161144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.161144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.161144 (E_RNA) where: Base-Base interactions energy: -1953.888 where: short stacking energy: -824.002 Base-Backbone interact. energy: -2.305 local terms energy: -793.968649 where: bonds (distance) C4'-P energy: -147.523 bonds (distance) P-C4' energy: -154.579 flat angles C4'-P-C4' energy: -168.768 flat angles P-C4'-P energy: -116.730 tors. eta vs tors. theta energy: -206.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2586.276534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.276534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.276534 (E_RNA) where: Base-Base interactions energy: -1800.014 where: short stacking energy: -775.996 Base-Backbone interact. energy: -5.614 local terms energy: -780.648277 where: bonds (distance) C4'-P energy: -139.313 bonds (distance) P-C4' energy: -146.733 flat angles C4'-P-C4' energy: -170.571 flat angles P-C4'-P energy: -113.957 tors. eta vs tors. theta energy: -210.074 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: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2505.885439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.885439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.885439 (E_RNA) where: Base-Base interactions energy: -1759.747 where: short stacking energy: -781.344 Base-Backbone interact. energy: -3.450 local terms energy: -742.688629 where: bonds (distance) C4'-P energy: -135.621 bonds (distance) P-C4' energy: -138.681 flat angles C4'-P-C4' energy: -152.474 flat angles P-C4'-P energy: -106.313 tors. eta vs tors. theta energy: -209.599 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: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2362.044187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.044187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.044187 (E_RNA) where: Base-Base interactions energy: -1684.502 where: short stacking energy: -722.523 Base-Backbone interact. energy: 8.316 local terms energy: -685.858200 where: bonds (distance) C4'-P energy: -141.101 bonds (distance) P-C4' energy: -138.440 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -75.902 tors. eta vs tors. theta energy: -181.850 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: 148 Temperature: 1.200000 Total energy: -2361.142129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.142129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.142129 (E_RNA) where: Base-Base interactions energy: -1660.603 where: short stacking energy: -675.896 Base-Backbone interact. energy: -5.672 local terms energy: -694.866327 where: bonds (distance) C4'-P energy: -143.233 bonds (distance) P-C4' energy: -130.781 flat angles C4'-P-C4' energy: -154.741 flat angles P-C4'-P energy: -94.031 tors. eta vs tors. theta energy: -172.081 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: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1961.391055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.391055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.391055 (E_RNA) where: Base-Base interactions energy: -1386.703 where: short stacking energy: -603.318 Base-Backbone interact. energy: 3.836 local terms energy: -578.524581 where: bonds (distance) C4'-P energy: -121.067 bonds (distance) P-C4' energy: -129.880 flat angles C4'-P-C4' energy: -139.112 flat angles P-C4'-P energy: -84.453 tors. eta vs tors. theta energy: -104.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1644.244451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.244451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.244451 (E_RNA) where: Base-Base interactions energy: -1083.453 where: short stacking energy: -494.973 Base-Backbone interact. energy: -1.300 local terms energy: -559.491114 where: bonds (distance) C4'-P energy: -123.440 bonds (distance) P-C4' energy: -136.699 flat angles C4'-P-C4' energy: -137.206 flat angles P-C4'-P energy: -79.501 tors. eta vs tors. theta energy: -82.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1361.280400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.280400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.280400 (E_RNA) where: Base-Base interactions energy: -867.000 where: short stacking energy: -428.982 Base-Backbone interact. energy: 4.358 local terms energy: -498.638986 where: bonds (distance) C4'-P energy: -109.917 bonds (distance) P-C4' energy: -133.716 flat angles C4'-P-C4' energy: -127.003 flat angles P-C4'-P energy: -66.766 tors. eta vs tors. theta energy: -61.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2964.131229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.131229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.131229 (E_RNA) where: Base-Base interactions energy: -2109.722 where: short stacking energy: -873.572 Base-Backbone interact. energy: -3.060 local terms energy: -851.348974 where: bonds (distance) C4'-P energy: -147.433 bonds (distance) P-C4' energy: -166.190 flat angles C4'-P-C4' energy: -174.303 flat angles P-C4'-P energy: -126.948 tors. eta vs tors. theta energy: -236.475 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: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2840.021037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.021037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.021037 (E_RNA) where: Base-Base interactions energy: -2004.211 where: short stacking energy: -869.058 Base-Backbone interact. energy: -5.009 local terms energy: -830.801471 where: bonds (distance) C4'-P energy: -159.806 bonds (distance) P-C4' energy: -154.321 flat angles C4'-P-C4' energy: -183.756 flat angles P-C4'-P energy: -108.398 tors. eta vs tors. theta energy: -224.520 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: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2741.673937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.673937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.673937 (E_RNA) where: Base-Base interactions energy: -1924.726 where: short stacking energy: -807.434 Base-Backbone interact. energy: -1.131 local terms energy: -815.817024 where: bonds (distance) C4'-P energy: -157.546 bonds (distance) P-C4' energy: -150.970 flat angles C4'-P-C4' energy: -177.988 flat angles P-C4'-P energy: -119.364 tors. eta vs tors. theta energy: -209.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2569.262289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.262289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.262289 (E_RNA) where: Base-Base interactions energy: -1811.576 where: short stacking energy: -748.765 Base-Backbone interact. energy: 0.368 local terms energy: -758.054511 where: bonds (distance) C4'-P energy: -118.091 bonds (distance) P-C4' energy: -162.046 flat angles C4'-P-C4' energy: -160.776 flat angles P-C4'-P energy: -112.549 tors. eta vs tors. theta energy: -204.593 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: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2526.664075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.664075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.664075 (E_RNA) where: Base-Base interactions energy: -1794.568 where: short stacking energy: -737.218 Base-Backbone interact. energy: -3.805 local terms energy: -728.291903 where: bonds (distance) C4'-P energy: -120.096 bonds (distance) P-C4' energy: -137.393 flat angles C4'-P-C4' energy: -176.607 flat angles P-C4'-P energy: -96.353 tors. eta vs tors. theta energy: -197.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2396.885048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.885048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.885048 (E_RNA) where: Base-Base interactions energy: -1671.945 where: short stacking energy: -734.859 Base-Backbone interact. energy: 0.095 local terms energy: -725.035047 where: bonds (distance) C4'-P energy: -137.592 bonds (distance) P-C4' energy: -143.615 flat angles C4'-P-C4' energy: -149.712 flat angles P-C4'-P energy: -96.145 tors. eta vs tors. theta energy: -197.971 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: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -2329.328706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.328706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.328706 (E_RNA) where: Base-Base interactions energy: -1666.902 where: short stacking energy: -664.548 Base-Backbone interact. energy: -1.141 local terms energy: -661.285303 where: bonds (distance) C4'-P energy: -132.984 bonds (distance) P-C4' energy: -141.641 flat angles C4'-P-C4' energy: -142.596 flat angles P-C4'-P energy: -78.836 tors. eta vs tors. theta energy: -165.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1967.551674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.551674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.551674 (E_RNA) where: Base-Base interactions energy: -1335.117 where: short stacking energy: -579.841 Base-Backbone interact. energy: 0.305 local terms energy: -632.740261 where: bonds (distance) C4'-P energy: -147.006 bonds (distance) P-C4' energy: -155.491 flat angles C4'-P-C4' energy: -125.271 flat angles P-C4'-P energy: -65.457 tors. eta vs tors. theta energy: -139.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1642.290253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.290253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.290253 (E_RNA) where: Base-Base interactions energy: -1116.052 where: short stacking energy: -472.401 Base-Backbone interact. energy: 0.326 local terms energy: -526.563967 where: bonds (distance) C4'-P energy: -122.544 bonds (distance) P-C4' energy: -137.609 flat angles C4'-P-C4' energy: -116.705 flat angles P-C4'-P energy: -73.984 tors. eta vs tors. theta energy: -75.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1414.138269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.138269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.138269 (E_RNA) where: Base-Base interactions energy: -902.273 where: short stacking energy: -407.099 Base-Backbone interact. energy: -0.707 local terms energy: -511.157507 where: bonds (distance) C4'-P energy: -148.295 bonds (distance) P-C4' energy: -132.468 flat angles C4'-P-C4' energy: -108.007 flat angles P-C4'-P energy: -58.241 tors. eta vs tors. theta energy: -64.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2977.358296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.358296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.358296 (E_RNA) where: Base-Base interactions energy: -2132.498 where: short stacking energy: -884.396 Base-Backbone interact. energy: -2.665 local terms energy: -842.195143 where: bonds (distance) C4'-P energy: -157.340 bonds (distance) P-C4' energy: -151.896 flat angles C4'-P-C4' energy: -182.270 flat angles P-C4'-P energy: -122.844 tors. eta vs tors. theta energy: -227.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2838.337899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.337899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.337899 (E_RNA) where: Base-Base interactions energy: -1999.863 where: short stacking energy: -857.041 Base-Backbone interact. energy: -3.735 local terms energy: -834.739597 where: bonds (distance) C4'-P energy: -150.764 bonds (distance) P-C4' energy: -150.730 flat angles C4'-P-C4' energy: -182.689 flat angles P-C4'-P energy: -113.983 tors. eta vs tors. theta energy: -236.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2751.148925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.148925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.148925 (E_RNA) where: Base-Base interactions energy: -1945.133 where: short stacking energy: -822.672 Base-Backbone interact. energy: -3.661 local terms energy: -802.354645 where: bonds (distance) C4'-P energy: -145.670 bonds (distance) P-C4' energy: -149.408 flat angles C4'-P-C4' energy: -176.409 flat angles P-C4'-P energy: -114.634 tors. eta vs tors. theta energy: -216.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2596.791076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.791076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.791076 (E_RNA) where: Base-Base interactions energy: -1820.879 where: short stacking energy: -755.599 Base-Backbone interact. energy: -3.442 local terms energy: -772.470072 where: bonds (distance) C4'-P energy: -122.194 bonds (distance) P-C4' energy: -146.036 flat angles C4'-P-C4' energy: -181.666 flat angles P-C4'-P energy: -125.159 tors. eta vs tors. theta energy: -197.415 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: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2573.453228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.453228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.453228 (E_RNA) where: Base-Base interactions energy: -1865.258 where: short stacking energy: -764.457 Base-Backbone interact. energy: -2.830 local terms energy: -705.365831 where: bonds (distance) C4'-P energy: -130.423 bonds (distance) P-C4' energy: -126.803 flat angles C4'-P-C4' energy: -161.083 flat angles P-C4'-P energy: -83.009 tors. eta vs tors. theta energy: -204.048 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: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2382.711710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.711710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.711710 (E_RNA) where: Base-Base interactions energy: -1667.861 where: short stacking energy: -714.513 Base-Backbone interact. energy: -1.114 local terms energy: -713.736152 where: bonds (distance) C4'-P energy: -121.715 bonds (distance) P-C4' energy: -132.275 flat angles C4'-P-C4' energy: -164.126 flat angles P-C4'-P energy: -97.986 tors. eta vs tors. theta energy: -197.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -2387.450996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.450996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.450996 (E_RNA) where: Base-Base interactions energy: -1702.589 where: short stacking energy: -712.530 Base-Backbone interact. energy: -5.184 local terms energy: -679.677847 where: bonds (distance) C4'-P energy: -118.936 bonds (distance) P-C4' energy: -125.475 flat angles C4'-P-C4' energy: -160.832 flat angles P-C4'-P energy: -98.651 tors. eta vs tors. theta energy: -175.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -2056.859008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.859008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.859008 (E_RNA) where: Base-Base interactions energy: -1396.910 where: short stacking energy: -634.709 Base-Backbone interact. energy: -3.243 local terms energy: -656.706486 where: bonds (distance) C4'-P energy: -120.238 bonds (distance) P-C4' energy: -130.445 flat angles C4'-P-C4' energy: -160.323 flat angles P-C4'-P energy: -94.263 tors. eta vs tors. theta energy: -151.439 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: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1693.643330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.643330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.643330 (E_RNA) where: Base-Base interactions energy: -1166.508 where: short stacking energy: -489.890 Base-Backbone interact. energy: 2.136 local terms energy: -529.270970 where: bonds (distance) C4'-P energy: -106.605 bonds (distance) P-C4' energy: -106.715 flat angles C4'-P-C4' energy: -138.912 flat angles P-C4'-P energy: -94.141 tors. eta vs tors. theta energy: -82.898 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: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1351.750987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.750987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.750987 (E_RNA) where: Base-Base interactions energy: -869.153 where: short stacking energy: -418.903 Base-Backbone interact. energy: 1.204 local terms energy: -483.802651 where: bonds (distance) C4'-P energy: -100.755 bonds (distance) P-C4' energy: -141.700 flat angles C4'-P-C4' energy: -119.903 flat angles P-C4'-P energy: -72.617 tors. eta vs tors. theta energy: -48.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2971.151950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.151950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.151950 (E_RNA) where: Base-Base interactions energy: -2100.646 where: short stacking energy: -865.143 Base-Backbone interact. energy: -4.140 local terms energy: -866.366275 where: bonds (distance) C4'-P energy: -167.958 bonds (distance) P-C4' energy: -160.043 flat angles C4'-P-C4' energy: -184.524 flat angles P-C4'-P energy: -117.572 tors. eta vs tors. theta energy: -236.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2812.138356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.138356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.138356 (E_RNA) where: Base-Base interactions energy: -1936.783 where: short stacking energy: -840.568 Base-Backbone interact. energy: -6.425 local terms energy: -868.930295 where: bonds (distance) C4'-P energy: -162.214 bonds (distance) P-C4' energy: -168.078 flat angles C4'-P-C4' energy: -191.197 flat angles P-C4'-P energy: -116.936 tors. eta vs tors. theta energy: -230.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2714.552464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.552464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.552464 (E_RNA) where: Base-Base interactions energy: -1928.221 where: short stacking energy: -796.000 Base-Backbone interact. energy: -3.616 local terms energy: -782.715812 where: bonds (distance) C4'-P energy: -148.944 bonds (distance) P-C4' energy: -154.776 flat angles C4'-P-C4' energy: -160.005 flat angles P-C4'-P energy: -114.816 tors. eta vs tors. theta energy: -204.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2614.399695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.399695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.399695 (E_RNA) where: Base-Base interactions energy: -1824.064 where: short stacking energy: -769.470 Base-Backbone interact. energy: -2.186 local terms energy: -788.150580 where: bonds (distance) C4'-P energy: -147.359 bonds (distance) P-C4' energy: -145.511 flat angles C4'-P-C4' energy: -173.662 flat angles P-C4'-P energy: -122.442 tors. eta vs tors. theta energy: -199.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2539.250764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.250764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.250764 (E_RNA) where: Base-Base interactions energy: -1814.477 where: short stacking energy: -763.200 Base-Backbone interact. energy: -1.659 local terms energy: -723.115253 where: bonds (distance) C4'-P energy: -139.901 bonds (distance) P-C4' energy: -144.962 flat angles C4'-P-C4' energy: -150.828 flat angles P-C4'-P energy: -104.637 tors. eta vs tors. theta energy: -182.786 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: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2423.628285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.628285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.628285 (E_RNA) where: Base-Base interactions energy: -1704.841 where: short stacking energy: -703.819 Base-Backbone interact. energy: -2.435 local terms energy: -716.352365 where: bonds (distance) C4'-P energy: -124.610 bonds (distance) P-C4' energy: -140.596 flat angles C4'-P-C4' energy: -150.493 flat angles P-C4'-P energy: -103.546 tors. eta vs tors. theta energy: -197.108 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: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2335.593327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.593327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.593327 (E_RNA) where: Base-Base interactions energy: -1606.970 where: short stacking energy: -671.059 Base-Backbone interact. energy: 0.588 local terms energy: -729.212098 where: bonds (distance) C4'-P energy: -140.279 bonds (distance) P-C4' energy: -145.964 flat angles C4'-P-C4' energy: -151.530 flat angles P-C4'-P energy: -111.708 tors. eta vs tors. theta energy: -179.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1960.429051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.429051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.429051 (E_RNA) where: Base-Base interactions energy: -1339.754 where: short stacking energy: -566.773 Base-Backbone interact. energy: 4.342 local terms energy: -625.017353 where: bonds (distance) C4'-P energy: -137.006 bonds (distance) P-C4' energy: -139.323 flat angles C4'-P-C4' energy: -134.195 flat angles P-C4'-P energy: -96.481 tors. eta vs tors. theta energy: -118.013 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: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1683.057202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.057202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.057202 (E_RNA) where: Base-Base interactions energy: -1145.097 where: short stacking energy: -520.827 Base-Backbone interact. energy: 5.082 local terms energy: -543.042308 where: bonds (distance) C4'-P energy: -132.859 bonds (distance) P-C4' energy: -124.605 flat angles C4'-P-C4' energy: -131.693 flat angles P-C4'-P energy: -67.575 tors. eta vs tors. theta energy: -86.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1435.388486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.388486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.388486 (E_RNA) where: Base-Base interactions energy: -914.031 where: short stacking energy: -428.214 Base-Backbone interact. energy: -1.787 local terms energy: -519.570416 where: bonds (distance) C4'-P energy: -130.840 bonds (distance) P-C4' energy: -128.417 flat angles C4'-P-C4' energy: -129.073 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -65.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2947.477879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.477879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.477879 (E_RNA) where: Base-Base interactions energy: -2103.859 where: short stacking energy: -879.934 Base-Backbone interact. energy: -6.468 local terms energy: -837.151245 where: bonds (distance) C4'-P energy: -142.620 bonds (distance) P-C4' energy: -159.608 flat angles C4'-P-C4' energy: -168.136 flat angles P-C4'-P energy: -120.923 tors. eta vs tors. theta energy: -245.863 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: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2856.736765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.736765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.736765 (E_RNA) where: Base-Base interactions energy: -2017.111 where: short stacking energy: -883.234 Base-Backbone interact. energy: -4.873 local terms energy: -834.753522 where: bonds (distance) C4'-P energy: -153.082 bonds (distance) P-C4' energy: -162.872 flat angles C4'-P-C4' energy: -165.674 flat angles P-C4'-P energy: -122.900 tors. eta vs tors. theta energy: -230.224 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: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2725.849921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.849921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.849921 (E_RNA) where: Base-Base interactions energy: -1926.840 where: short stacking energy: -821.754 Base-Backbone interact. energy: -2.004 local terms energy: -797.005710 where: bonds (distance) C4'-P energy: -136.940 bonds (distance) P-C4' energy: -156.341 flat angles C4'-P-C4' energy: -174.541 flat angles P-C4'-P energy: -112.666 tors. eta vs tors. theta energy: -216.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2639.969606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.969606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.969606 (E_RNA) where: Base-Base interactions energy: -1902.613 where: short stacking energy: -796.182 Base-Backbone interact. energy: -0.530 local terms energy: -736.826461 where: bonds (distance) C4'-P energy: -139.516 bonds (distance) P-C4' energy: -148.461 flat angles C4'-P-C4' energy: -155.294 flat angles P-C4'-P energy: -97.243 tors. eta vs tors. theta energy: -196.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2587.551514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.551514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.551514 (E_RNA) where: Base-Base interactions energy: -1813.697 where: short stacking energy: -752.162 Base-Backbone interact. energy: -3.655 local terms energy: -770.200411 where: bonds (distance) C4'-P energy: -156.585 bonds (distance) P-C4' energy: -153.859 flat angles C4'-P-C4' energy: -180.141 flat angles P-C4'-P energy: -93.312 tors. eta vs tors. theta energy: -186.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2306.784071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.784071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.784071 (E_RNA) where: Base-Base interactions energy: -1588.921 where: short stacking energy: -697.130 Base-Backbone interact. energy: -2.347 local terms energy: -715.515934 where: bonds (distance) C4'-P energy: -135.050 bonds (distance) P-C4' energy: -150.931 flat angles C4'-P-C4' energy: -172.223 flat angles P-C4'-P energy: -68.652 tors. eta vs tors. theta energy: -188.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2253.366727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.366727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.366727 (E_RNA) where: Base-Base interactions energy: -1558.612 where: short stacking energy: -657.496 Base-Backbone interact. energy: -1.950 local terms energy: -692.805331 where: bonds (distance) C4'-P energy: -119.933 bonds (distance) P-C4' energy: -140.735 flat angles C4'-P-C4' energy: -156.373 flat angles P-C4'-P energy: -105.148 tors. eta vs tors. theta energy: -170.617 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: 8, replica: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -2072.035724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.035724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.035724 (E_RNA) where: Base-Base interactions energy: -1417.927 where: short stacking energy: -631.171 Base-Backbone interact. energy: 2.007 local terms energy: -656.115773 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -144.220 flat angles C4'-P-C4' energy: -168.052 flat angles P-C4'-P energy: -95.692 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: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1654.528403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.528403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.528403 (E_RNA) where: Base-Base interactions energy: -1095.452 where: short stacking energy: -453.686 Base-Backbone interact. energy: -0.273 local terms energy: -558.802546 where: bonds (distance) C4'-P energy: -126.418 bonds (distance) P-C4' energy: -150.870 flat angles C4'-P-C4' energy: -128.889 flat angles P-C4'-P energy: -70.670 tors. eta vs tors. theta energy: -81.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1400.613473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.613473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.613473 (E_RNA) where: Base-Base interactions energy: -893.822 where: short stacking energy: -445.227 Base-Backbone interact. energy: 0.714 local terms energy: -507.505442 where: bonds (distance) C4'-P energy: -127.363 bonds (distance) P-C4' energy: -102.642 flat angles C4'-P-C4' energy: -123.190 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -80.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2952.228520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.228520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.228520 (E_RNA) where: Base-Base interactions energy: -2109.186 where: short stacking energy: -892.329 Base-Backbone interact. energy: -6.140 local terms energy: -836.901970 where: bonds (distance) C4'-P energy: -163.234 bonds (distance) P-C4' energy: -167.051 flat angles C4'-P-C4' energy: -165.647 flat angles P-C4'-P energy: -113.275 tors. eta vs tors. theta energy: -227.696 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: 2, replica: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2865.227216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.227216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.227216 (E_RNA) where: Base-Base interactions energy: -2011.332 where: short stacking energy: -878.108 Base-Backbone interact. energy: -4.511 local terms energy: -849.384191 where: bonds (distance) C4'-P energy: -145.092 bonds (distance) P-C4' energy: -160.856 flat angles C4'-P-C4' energy: -192.697 flat angles P-C4'-P energy: -117.641 tors. eta vs tors. theta energy: -233.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2723.045580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.045580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.045580 (E_RNA) where: Base-Base interactions energy: -1928.524 where: short stacking energy: -830.970 Base-Backbone interact. energy: -1.024 local terms energy: -793.496975 where: bonds (distance) C4'-P energy: -146.256 bonds (distance) P-C4' energy: -159.314 flat angles C4'-P-C4' energy: -174.044 flat angles P-C4'-P energy: -118.332 tors. eta vs tors. theta energy: -195.552 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: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2617.494872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.494872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.494872 (E_RNA) where: Base-Base interactions energy: -1818.201 where: short stacking energy: -754.492 Base-Backbone interact. energy: -2.092 local terms energy: -797.201360 where: bonds (distance) C4'-P energy: -142.743 bonds (distance) P-C4' energy: -147.104 flat angles C4'-P-C4' energy: -174.000 flat angles P-C4'-P energy: -112.431 tors. eta vs tors. theta energy: -220.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2582.411220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.411220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.411220 (E_RNA) where: Base-Base interactions energy: -1802.623 where: short stacking energy: -780.960 Base-Backbone interact. energy: -5.675 local terms energy: -774.113356 where: bonds (distance) C4'-P energy: -144.760 bonds (distance) P-C4' energy: -143.033 flat angles C4'-P-C4' energy: -159.857 flat angles P-C4'-P energy: -119.343 tors. eta vs tors. theta energy: -207.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2330.316122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.316122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.316122 (E_RNA) where: Base-Base interactions energy: -1613.872 where: short stacking energy: -689.355 Base-Backbone interact. energy: -2.626 local terms energy: -713.818485 where: bonds (distance) C4'-P energy: -132.465 bonds (distance) P-C4' energy: -151.665 flat angles C4'-P-C4' energy: -148.978 flat angles P-C4'-P energy: -87.744 tors. eta vs tors. theta energy: -192.966 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: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -2235.076869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.076869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.076869 (E_RNA) where: Base-Base interactions energy: -1561.463 where: short stacking energy: -639.960 Base-Backbone interact. energy: -1.076 local terms energy: -672.538286 where: bonds (distance) C4'-P energy: -127.998 bonds (distance) P-C4' energy: -147.015 flat angles C4'-P-C4' energy: -146.338 flat angles P-C4'-P energy: -100.489 tors. eta vs tors. theta energy: -150.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -2135.355411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.355411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.355411 (E_RNA) where: Base-Base interactions energy: -1547.976 where: short stacking energy: -636.089 Base-Backbone interact. energy: -2.462 local terms energy: -584.917040 where: bonds (distance) C4'-P energy: -101.109 bonds (distance) P-C4' energy: -121.629 flat angles C4'-P-C4' energy: -137.199 flat angles P-C4'-P energy: -81.638 tors. eta vs tors. theta energy: -143.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1637.165333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.165333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.165333 (E_RNA) where: Base-Base interactions energy: -1124.572 where: short stacking energy: -477.968 Base-Backbone interact. energy: -1.821 local terms energy: -510.771678 where: bonds (distance) C4'-P energy: -101.829 bonds (distance) P-C4' energy: -124.248 flat angles C4'-P-C4' energy: -129.636 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -77.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1300.600942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.600942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.600942 (E_RNA) where: Base-Base interactions energy: -800.985 where: short stacking energy: -398.200 Base-Backbone interact. energy: 4.043 local terms energy: -503.658892 where: bonds (distance) C4'-P energy: -133.687 bonds (distance) P-C4' energy: -125.214 flat angles C4'-P-C4' energy: -129.148 flat angles P-C4'-P energy: -58.883 tors. eta vs tors. theta energy: -56.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2961.230446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.230446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.230446 (E_RNA) where: Base-Base interactions energy: -2101.387 where: short stacking energy: -865.927 Base-Backbone interact. energy: -0.368 local terms energy: -859.474904 where: bonds (distance) C4'-P energy: -154.432 bonds (distance) P-C4' energy: -162.204 flat angles C4'-P-C4' energy: -181.231 flat angles P-C4'-P energy: -127.292 tors. eta vs tors. theta energy: -234.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2818.992788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.992788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.992788 (E_RNA) where: Base-Base interactions energy: -1988.003 where: short stacking energy: -876.536 Base-Backbone interact. energy: 0.237 local terms energy: -831.227246 where: bonds (distance) C4'-P energy: -144.605 bonds (distance) P-C4' energy: -157.472 flat angles C4'-P-C4' energy: -184.216 flat angles P-C4'-P energy: -117.852 tors. eta vs tors. theta energy: -227.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2697.590646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.590646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.590646 (E_RNA) where: Base-Base interactions energy: -1892.510 where: short stacking energy: -839.798 Base-Backbone interact. energy: 0.004 local terms energy: -805.084313 where: bonds (distance) C4'-P energy: -150.148 bonds (distance) P-C4' energy: -160.885 flat angles C4'-P-C4' energy: -168.298 flat angles P-C4'-P energy: -119.971 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: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2636.148986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.148986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.148986 (E_RNA) where: Base-Base interactions energy: -1866.610 where: short stacking energy: -813.075 Base-Backbone interact. energy: -1.713 local terms energy: -767.825803 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -144.845 flat angles C4'-P-C4' energy: -166.313 flat angles P-C4'-P energy: -109.324 tors. eta vs tors. theta energy: -207.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2513.945097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.945097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.945097 (E_RNA) where: Base-Base interactions energy: -1785.991 where: short stacking energy: -756.187 Base-Backbone interact. energy: 0.933 local terms energy: -728.887228 where: bonds (distance) C4'-P energy: -142.845 bonds (distance) P-C4' energy: -130.855 flat angles C4'-P-C4' energy: -167.371 flat angles P-C4'-P energy: -93.182 tors. eta vs tors. theta energy: -194.634 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: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2370.607225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.607225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.607225 (E_RNA) where: Base-Base interactions energy: -1646.564 where: short stacking energy: -720.871 Base-Backbone interact. energy: -1.438 local terms energy: -722.605287 where: bonds (distance) C4'-P energy: -130.866 bonds (distance) P-C4' energy: -142.673 flat angles C4'-P-C4' energy: -159.392 flat angles P-C4'-P energy: -91.377 tors. eta vs tors. theta energy: -198.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -2240.480965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.480965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.480965 (E_RNA) where: Base-Base interactions energy: -1560.778 where: short stacking energy: -666.386 Base-Backbone interact. energy: -1.649 local terms energy: -678.053550 where: bonds (distance) C4'-P energy: -131.297 bonds (distance) P-C4' energy: -145.304 flat angles C4'-P-C4' energy: -155.850 flat angles P-C4'-P energy: -85.953 tors. eta vs tors. theta energy: -159.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -2107.596170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.596170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.596170 (E_RNA) where: Base-Base interactions energy: -1473.156 where: short stacking energy: -596.200 Base-Backbone interact. energy: -1.773 local terms energy: -632.667339 where: bonds (distance) C4'-P energy: -124.890 bonds (distance) P-C4' energy: -132.125 flat angles C4'-P-C4' energy: -147.598 flat angles P-C4'-P energy: -83.246 tors. eta vs tors. theta energy: -144.809 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: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1650.217087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.217087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.217087 (E_RNA) where: Base-Base interactions energy: -1110.987 where: short stacking energy: -505.765 Base-Backbone interact. energy: -3.007 local terms energy: -536.223525 where: bonds (distance) C4'-P energy: -112.678 bonds (distance) P-C4' energy: -126.348 flat angles C4'-P-C4' energy: -121.015 flat angles P-C4'-P energy: -73.466 tors. eta vs tors. theta energy: -102.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1333.438960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.438960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.438960 (E_RNA) where: Base-Base interactions energy: -857.829 where: short stacking energy: -385.742 Base-Backbone interact. energy: -0.923 local terms energy: -474.687135 where: bonds (distance) C4'-P energy: -93.196 bonds (distance) P-C4' energy: -126.203 flat angles C4'-P-C4' energy: -134.929 flat angles P-C4'-P energy: -70.590 tors. eta vs tors. theta energy: -49.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2941.014040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.014040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.014040 (E_RNA) where: Base-Base interactions energy: -2068.486 where: short stacking energy: -878.093 Base-Backbone interact. energy: -6.220 local terms energy: -866.308446 where: bonds (distance) C4'-P energy: -165.441 bonds (distance) P-C4' energy: -168.063 flat angles C4'-P-C4' energy: -181.038 flat angles P-C4'-P energy: -124.104 tors. eta vs tors. theta energy: -227.661 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: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2830.863588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.863588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.863588 (E_RNA) where: Base-Base interactions energy: -2008.126 where: short stacking energy: -867.759 Base-Backbone interact. energy: -5.950 local terms energy: -816.787005 where: bonds (distance) C4'-P energy: -147.529 bonds (distance) P-C4' energy: -154.325 flat angles C4'-P-C4' energy: -175.912 flat angles P-C4'-P energy: -113.719 tors. eta vs tors. theta energy: -225.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2705.874234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.874234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.874234 (E_RNA) where: Base-Base interactions energy: -1904.901 where: short stacking energy: -829.501 Base-Backbone interact. energy: -0.958 local terms energy: -800.015860 where: bonds (distance) C4'-P energy: -130.648 bonds (distance) P-C4' energy: -164.358 flat angles C4'-P-C4' energy: -168.361 flat angles P-C4'-P energy: -120.372 tors. eta vs tors. theta energy: -216.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2626.751265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.751265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.751265 (E_RNA) where: Base-Base interactions energy: -1863.431 where: short stacking energy: -773.174 Base-Backbone interact. energy: -1.754 local terms energy: -761.566393 where: bonds (distance) C4'-P energy: -135.193 bonds (distance) P-C4' energy: -155.292 flat angles C4'-P-C4' energy: -167.321 flat angles P-C4'-P energy: -107.831 tors. eta vs tors. theta energy: -195.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2541.397927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.397927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.397927 (E_RNA) where: Base-Base interactions energy: -1778.167 where: short stacking energy: -747.098 Base-Backbone interact. energy: 0.128 local terms energy: -763.358922 where: bonds (distance) C4'-P energy: -146.384 bonds (distance) P-C4' energy: -145.934 flat angles C4'-P-C4' energy: -169.372 flat angles P-C4'-P energy: -97.695 tors. eta vs tors. theta energy: -203.974 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: 10 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2336.867794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.867794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.867794 (E_RNA) where: Base-Base interactions energy: -1643.149 where: short stacking energy: -693.760 Base-Backbone interact. energy: 7.212 local terms energy: -700.930654 where: bonds (distance) C4'-P energy: -136.345 bonds (distance) P-C4' energy: -143.140 flat angles C4'-P-C4' energy: -153.387 flat angles P-C4'-P energy: -95.176 tors. eta vs tors. theta energy: -172.882 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: 155 Temperature: 1.200000 Total energy: -2308.594774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.594774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.594774 (E_RNA) where: Base-Base interactions energy: -1612.564 where: short stacking energy: -679.350 Base-Backbone interact. energy: -1.745 local terms energy: -694.286465 where: bonds (distance) C4'-P energy: -136.263 bonds (distance) P-C4' energy: -125.839 flat angles C4'-P-C4' energy: -154.088 flat angles P-C4'-P energy: -99.601 tors. eta vs tors. theta energy: -178.494 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: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -2144.173964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.173964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.173964 (E_RNA) where: Base-Base interactions energy: -1524.803 where: short stacking energy: -644.850 Base-Backbone interact. energy: -4.038 local terms energy: -615.332817 where: bonds (distance) C4'-P energy: -114.540 bonds (distance) P-C4' energy: -136.595 flat angles C4'-P-C4' energy: -134.789 flat angles P-C4'-P energy: -86.177 tors. eta vs tors. theta energy: -143.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1663.868657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.868657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.868657 (E_RNA) where: Base-Base interactions energy: -1106.713 where: short stacking energy: -495.684 Base-Backbone interact. energy: 4.179 local terms energy: -561.334710 where: bonds (distance) C4'-P energy: -109.024 bonds (distance) P-C4' energy: -139.503 flat angles C4'-P-C4' energy: -128.212 flat angles P-C4'-P energy: -85.719 tors. eta vs tors. theta energy: -98.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1419.062614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.062614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.062614 (E_RNA) where: Base-Base interactions energy: -947.510 where: short stacking energy: -391.063 Base-Backbone interact. energy: -0.363 local terms energy: -471.190048 where: bonds (distance) C4'-P energy: -103.339 bonds (distance) P-C4' energy: -138.333 flat angles C4'-P-C4' energy: -110.570 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -63.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2983.364841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.364841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.364841 (E_RNA) where: Base-Base interactions energy: -2119.594 where: short stacking energy: -879.636 Base-Backbone interact. energy: -2.613 local terms energy: -861.157692 where: bonds (distance) C4'-P energy: -157.435 bonds (distance) P-C4' energy: -165.729 flat angles C4'-P-C4' energy: -176.620 flat angles P-C4'-P energy: -127.213 tors. eta vs tors. theta energy: -234.161 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: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2876.916578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.916578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.916578 (E_RNA) where: Base-Base interactions energy: -2028.394 where: short stacking energy: -863.205 Base-Backbone interact. energy: -2.284 local terms energy: -846.238013 where: bonds (distance) C4'-P energy: -168.694 bonds (distance) P-C4' energy: -168.693 flat angles C4'-P-C4' energy: -171.952 flat angles P-C4'-P energy: -113.339 tors. eta vs tors. theta energy: -223.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2723.488403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.488403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.488403 (E_RNA) where: Base-Base interactions energy: -1917.436 where: short stacking energy: -808.657 Base-Backbone interact. energy: -2.059 local terms energy: -803.993393 where: bonds (distance) C4'-P energy: -158.588 bonds (distance) P-C4' energy: -156.583 flat angles C4'-P-C4' energy: -163.526 flat angles P-C4'-P energy: -117.619 tors. eta vs tors. theta energy: -207.678 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: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2631.995932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.995932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.995932 (E_RNA) where: Base-Base interactions energy: -1858.671 where: short stacking energy: -779.945 Base-Backbone interact. energy: 0.827 local terms energy: -774.151913 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -140.235 flat angles C4'-P-C4' energy: -178.782 flat angles P-C4'-P energy: -110.059 tors. eta vs tors. theta energy: -194.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2560.963220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.963220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.963220 (E_RNA) where: Base-Base interactions energy: -1812.662 where: short stacking energy: -777.819 Base-Backbone interact. energy: -7.097 local terms energy: -741.204309 where: bonds (distance) C4'-P energy: -139.085 bonds (distance) P-C4' energy: -137.267 flat angles C4'-P-C4' energy: -174.064 flat angles P-C4'-P energy: -82.589 tors. eta vs tors. theta energy: -208.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2386.371631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.371631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.371631 (E_RNA) where: Base-Base interactions energy: -1664.871 where: short stacking energy: -720.340 Base-Backbone interact. energy: -1.396 local terms energy: -720.104239 where: bonds (distance) C4'-P energy: -145.864 bonds (distance) P-C4' energy: -145.965 flat angles C4'-P-C4' energy: -156.183 flat angles P-C4'-P energy: -85.586 tors. eta vs tors. theta energy: -186.506 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: 156 Temperature: 1.200000 Total energy: -2303.719141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.719141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.719141 (E_RNA) where: Base-Base interactions energy: -1570.086 where: short stacking energy: -667.314 Base-Backbone interact. energy: -0.195 local terms energy: -733.438872 where: bonds (distance) C4'-P energy: -144.666 bonds (distance) P-C4' energy: -132.444 flat angles C4'-P-C4' energy: -175.255 flat angles P-C4'-P energy: -110.863 tors. eta vs tors. theta energy: -170.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -2094.887159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.887159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.887159 (E_RNA) where: Base-Base interactions energy: -1519.052 where: short stacking energy: -596.866 Base-Backbone interact. energy: -1.477 local terms energy: -574.358314 where: bonds (distance) C4'-P energy: -124.614 bonds (distance) P-C4' energy: -131.961 flat angles C4'-P-C4' energy: -130.497 flat angles P-C4'-P energy: -62.812 tors. eta vs tors. theta energy: -124.474 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: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1721.210963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.210963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.210963 (E_RNA) where: Base-Base interactions energy: -1148.487 where: short stacking energy: -522.882 Base-Backbone interact. energy: -2.464 local terms energy: -570.260493 where: bonds (distance) C4'-P energy: -114.142 bonds (distance) P-C4' energy: -122.817 flat angles C4'-P-C4' energy: -145.598 flat angles P-C4'-P energy: -84.153 tors. eta vs tors. theta energy: -103.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1392.230026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.230026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.230026 (E_RNA) where: Base-Base interactions energy: -883.671 where: short stacking energy: -387.349 Base-Backbone interact. energy: 1.479 local terms energy: -510.037789 where: bonds (distance) C4'-P energy: -132.349 bonds (distance) P-C4' energy: -103.014 flat angles C4'-P-C4' energy: -122.820 flat angles P-C4'-P energy: -92.971 tors. eta vs tors. theta energy: -58.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2973.864928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.864928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.864928 (E_RNA) where: Base-Base interactions energy: -2096.632 where: short stacking energy: -895.543 Base-Backbone interact. energy: -3.450 local terms energy: -873.782950 where: bonds (distance) C4'-P energy: -156.261 bonds (distance) P-C4' energy: -171.380 flat angles C4'-P-C4' energy: -194.005 flat angles P-C4'-P energy: -127.519 tors. eta vs tors. theta energy: -224.618 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: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2823.405207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.405207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.405207 (E_RNA) where: Base-Base interactions energy: -1987.217 where: short stacking energy: -837.431 Base-Backbone interact. energy: -2.075 local terms energy: -834.113310 where: bonds (distance) C4'-P energy: -154.535 bonds (distance) P-C4' energy: -145.524 flat angles C4'-P-C4' energy: -189.502 flat angles P-C4'-P energy: -118.055 tors. eta vs tors. theta energy: -226.497 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: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2723.144357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.144357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.144357 (E_RNA) where: Base-Base interactions energy: -1945.269 where: short stacking energy: -837.860 Base-Backbone interact. energy: -3.613 local terms energy: -774.261788 where: bonds (distance) C4'-P energy: -131.761 bonds (distance) P-C4' energy: -148.618 flat angles C4'-P-C4' energy: -173.642 flat angles P-C4'-P energy: -111.122 tors. eta vs tors. theta energy: -209.119 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: 157 Temperature: 1.050000 Total energy: -2626.421791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.421791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.421791 (E_RNA) where: Base-Base interactions energy: -1887.376 where: short stacking energy: -788.547 Base-Backbone interact. energy: -3.189 local terms energy: -735.856281 where: bonds (distance) C4'-P energy: -137.794 bonds (distance) P-C4' energy: -138.041 flat angles C4'-P-C4' energy: -173.204 flat angles P-C4'-P energy: -81.148 tors. eta vs tors. theta energy: -205.671 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2597.769607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.769607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.769607 (E_RNA) where: Base-Base interactions energy: -1825.108 where: short stacking energy: -761.210 Base-Backbone interact. energy: -1.896 local terms energy: -770.765606 where: bonds (distance) C4'-P energy: -151.438 bonds (distance) P-C4' energy: -153.561 flat angles C4'-P-C4' energy: -170.430 flat angles P-C4'-P energy: -101.903 tors. eta vs tors. theta energy: -193.433 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: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2396.142624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.142624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.142624 (E_RNA) where: Base-Base interactions energy: -1733.157 where: short stacking energy: -704.487 Base-Backbone interact. energy: -4.544 local terms energy: -658.441475 where: bonds (distance) C4'-P energy: -114.479 bonds (distance) P-C4' energy: -119.233 flat angles C4'-P-C4' energy: -143.085 flat angles P-C4'-P energy: -102.219 tors. eta vs tors. theta energy: -179.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -2249.914454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.914454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.914454 (E_RNA) where: Base-Base interactions energy: -1562.467 where: short stacking energy: -636.013 Base-Backbone interact. energy: -4.006 local terms energy: -683.441594 where: bonds (distance) C4'-P energy: -129.857 bonds (distance) P-C4' energy: -145.333 flat angles C4'-P-C4' energy: -148.574 flat angles P-C4'-P energy: -100.779 tors. eta vs tors. theta energy: -158.898 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: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -2034.923669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.923669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.923669 (E_RNA) where: Base-Base interactions energy: -1411.848 where: short stacking energy: -581.123 Base-Backbone interact. energy: 7.759 local terms energy: -630.834214 where: bonds (distance) C4'-P energy: -130.813 bonds (distance) P-C4' energy: -137.671 flat angles C4'-P-C4' energy: -132.605 flat angles P-C4'-P energy: -97.765 tors. eta vs tors. theta energy: -131.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1671.612057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.612057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.612057 (E_RNA) where: Base-Base interactions energy: -1119.470 where: short stacking energy: -492.518 Base-Backbone interact. energy: 5.137 local terms energy: -557.278253 where: bonds (distance) C4'-P energy: -120.991 bonds (distance) P-C4' energy: -115.823 flat angles C4'-P-C4' energy: -130.166 flat angles P-C4'-P energy: -95.918 tors. eta vs tors. theta energy: -94.379 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: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1443.724463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.724463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.724463 (E_RNA) where: Base-Base interactions energy: -931.894 where: short stacking energy: -428.958 Base-Backbone interact. energy: -2.013 local terms energy: -509.817553 where: bonds (distance) C4'-P energy: -129.866 bonds (distance) P-C4' energy: -140.336 flat angles C4'-P-C4' energy: -107.539 flat angles P-C4'-P energy: -77.868 tors. eta vs tors. theta energy: -54.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2958.894504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.894504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.894504 (E_RNA) where: Base-Base interactions energy: -2108.739 where: short stacking energy: -894.375 Base-Backbone interact. energy: -3.594 local terms energy: -846.561211 where: bonds (distance) C4'-P energy: -169.977 bonds (distance) P-C4' energy: -148.965 flat angles C4'-P-C4' energy: -177.730 flat angles P-C4'-P energy: -113.754 tors. eta vs tors. theta energy: -236.135 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: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2829.255285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.255285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.255285 (E_RNA) where: Base-Base interactions energy: -2006.726 where: short stacking energy: -857.824 Base-Backbone interact. energy: 0.057 local terms energy: -822.585674 where: bonds (distance) C4'-P energy: -148.255 bonds (distance) P-C4' energy: -154.501 flat angles C4'-P-C4' energy: -177.265 flat angles P-C4'-P energy: -125.661 tors. eta vs tors. theta energy: -216.903 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: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2735.122077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.122077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.122077 (E_RNA) where: Base-Base interactions energy: -1968.011 where: short stacking energy: -799.411 Base-Backbone interact. energy: -3.986 local terms energy: -763.125252 where: bonds (distance) C4'-P energy: -141.344 bonds (distance) P-C4' energy: -150.692 flat angles C4'-P-C4' energy: -166.653 flat angles P-C4'-P energy: -100.020 tors. eta vs tors. theta energy: -204.417 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: 158 Temperature: 1.050000 Total energy: -2629.789077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.789077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.789077 (E_RNA) where: Base-Base interactions energy: -1831.743 where: short stacking energy: -765.944 Base-Backbone interact. energy: -4.903 local terms energy: -793.142505 where: bonds (distance) C4'-P energy: -151.917 bonds (distance) P-C4' energy: -140.063 flat angles C4'-P-C4' energy: -185.531 flat angles P-C4'-P energy: -111.586 tors. eta vs tors. theta energy: -204.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2529.092711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.092711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.092711 (E_RNA) where: Base-Base interactions energy: -1780.582 where: short stacking energy: -740.713 Base-Backbone interact. energy: -4.543 local terms energy: -743.967914 where: bonds (distance) C4'-P energy: -137.691 bonds (distance) P-C4' energy: -148.917 flat angles C4'-P-C4' energy: -156.063 flat angles P-C4'-P energy: -100.048 tors. eta vs tors. theta energy: -201.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2512.254603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.254603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.254603 (E_RNA) where: Base-Base interactions energy: -1778.267 where: short stacking energy: -732.526 Base-Backbone interact. energy: -2.292 local terms energy: -731.694987 where: bonds (distance) C4'-P energy: -116.060 bonds (distance) P-C4' energy: -136.468 flat angles C4'-P-C4' energy: -173.064 flat angles P-C4'-P energy: -110.136 tors. eta vs tors. theta energy: -195.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2251.637117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.637117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.637117 (E_RNA) where: Base-Base interactions energy: -1557.647 where: short stacking energy: -655.558 Base-Backbone interact. energy: -4.830 local terms energy: -689.160023 where: bonds (distance) C4'-P energy: -125.122 bonds (distance) P-C4' energy: -140.897 flat angles C4'-P-C4' energy: -150.366 flat angles P-C4'-P energy: -111.458 tors. eta vs tors. theta energy: -161.318 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: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -2067.087792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.087792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.087792 (E_RNA) where: Base-Base interactions energy: -1418.173 where: short stacking energy: -592.884 Base-Backbone interact. energy: 4.608 local terms energy: -653.522744 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -153.588 flat angles C4'-P-C4' energy: -154.858 flat angles P-C4'-P energy: -87.115 tors. eta vs tors. theta energy: -129.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1731.585343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.585343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.585343 (E_RNA) where: Base-Base interactions energy: -1167.580 where: short stacking energy: -514.929 Base-Backbone interact. energy: 0.711 local terms energy: -564.717118 where: bonds (distance) C4'-P energy: -124.639 bonds (distance) P-C4' energy: -152.262 flat angles C4'-P-C4' energy: -128.329 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -80.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1403.080509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.080509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.080509 (E_RNA) where: Base-Base interactions energy: -926.660 where: short stacking energy: -401.585 Base-Backbone interact. energy: 8.323 local terms energy: -484.743808 where: bonds (distance) C4'-P energy: -97.818 bonds (distance) P-C4' energy: -125.432 flat angles C4'-P-C4' energy: -126.382 flat angles P-C4'-P energy: -95.907 tors. eta vs tors. theta energy: -39.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2966.275150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.275150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.275150 (E_RNA) where: Base-Base interactions energy: -2113.192 where: short stacking energy: -893.282 Base-Backbone interact. energy: -4.867 local terms energy: -848.216092 where: bonds (distance) C4'-P energy: -171.403 bonds (distance) P-C4' energy: -161.793 flat angles C4'-P-C4' energy: -162.509 flat angles P-C4'-P energy: -114.976 tors. eta vs tors. theta energy: -237.535 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: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2818.215641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.215641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.215641 (E_RNA) where: Base-Base interactions energy: -1980.254 where: short stacking energy: -853.407 Base-Backbone interact. energy: -1.640 local terms energy: -836.322475 where: bonds (distance) C4'-P energy: -161.974 bonds (distance) P-C4' energy: -160.548 flat angles C4'-P-C4' energy: -184.978 flat angles P-C4'-P energy: -103.523 tors. eta vs tors. theta energy: -225.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2805.834002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.834002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.834002 (E_RNA) where: Base-Base interactions energy: -1992.680 where: short stacking energy: -821.011 Base-Backbone interact. energy: -1.506 local terms energy: -811.648509 where: bonds (distance) C4'-P energy: -142.496 bonds (distance) P-C4' energy: -160.289 flat angles C4'-P-C4' energy: -186.830 flat angles P-C4'-P energy: -117.947 tors. eta vs tors. theta energy: -204.085 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: 159 Temperature: 1.050000 Total energy: -2649.394006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.394006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.394006 (E_RNA) where: Base-Base interactions energy: -1890.277 where: short stacking energy: -790.976 Base-Backbone interact. energy: -6.633 local terms energy: -752.483471 where: bonds (distance) C4'-P energy: -131.828 bonds (distance) P-C4' energy: -143.656 flat angles C4'-P-C4' energy: -166.532 flat angles P-C4'-P energy: -110.259 tors. eta vs tors. theta energy: -200.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2452.212128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.212128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.212128 (E_RNA) where: Base-Base interactions energy: -1715.050 where: short stacking energy: -734.637 Base-Backbone interact. energy: -1.853 local terms energy: -735.308751 where: bonds (distance) C4'-P energy: -129.159 bonds (distance) P-C4' energy: -135.671 flat angles C4'-P-C4' energy: -163.345 flat angles P-C4'-P energy: -117.987 tors. eta vs tors. theta energy: -189.146 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: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2427.311780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.311780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.311780 (E_RNA) where: Base-Base interactions energy: -1718.239 where: short stacking energy: -724.189 Base-Backbone interact. energy: -1.654 local terms energy: -707.418656 where: bonds (distance) C4'-P energy: -141.933 bonds (distance) P-C4' energy: -133.749 flat angles C4'-P-C4' energy: -152.453 flat angles P-C4'-P energy: -94.569 tors. eta vs tors. theta energy: -184.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2275.782655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.782655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.782655 (E_RNA) where: Base-Base interactions energy: -1589.471 where: short stacking energy: -695.835 Base-Backbone interact. energy: -3.111 local terms energy: -683.200743 where: bonds (distance) C4'-P energy: -122.133 bonds (distance) P-C4' energy: -128.897 flat angles C4'-P-C4' energy: -148.765 flat angles P-C4'-P energy: -112.792 tors. eta vs tors. theta energy: -170.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -2008.221358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.221358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.221358 (E_RNA) where: Base-Base interactions energy: -1389.343 where: short stacking energy: -584.361 Base-Backbone interact. energy: 1.674 local terms energy: -620.552682 where: bonds (distance) C4'-P energy: -120.684 bonds (distance) P-C4' energy: -137.906 flat angles C4'-P-C4' energy: -159.936 flat angles P-C4'-P energy: -79.858 tors. eta vs tors. theta energy: -122.168 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: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1683.190208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.190208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.190208 (E_RNA) where: Base-Base interactions energy: -1127.061 where: short stacking energy: -496.509 Base-Backbone interact. energy: 3.070 local terms energy: -559.199298 where: bonds (distance) C4'-P energy: -105.289 bonds (distance) P-C4' energy: -147.182 flat angles C4'-P-C4' energy: -141.547 flat angles P-C4'-P energy: -78.316 tors. eta vs tors. theta energy: -86.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1433.383107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.383107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.383107 (E_RNA) where: Base-Base interactions energy: -923.601 where: short stacking energy: -405.976 Base-Backbone interact. energy: -4.686 local terms energy: -505.096208 where: bonds (distance) C4'-P energy: -124.009 bonds (distance) P-C4' energy: -132.929 flat angles C4'-P-C4' energy: -116.553 flat angles P-C4'-P energy: -68.929 tors. eta vs tors. theta energy: -62.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2969.437706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.437706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.437706 (E_RNA) where: Base-Base interactions energy: -2114.862 where: short stacking energy: -880.340 Base-Backbone interact. energy: -2.696 local terms energy: -851.879531 where: bonds (distance) C4'-P energy: -154.125 bonds (distance) P-C4' energy: -165.750 flat angles C4'-P-C4' energy: -177.006 flat angles P-C4'-P energy: -122.416 tors. eta vs tors. theta energy: -232.582 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: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2856.590596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.590596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.590596 (E_RNA) where: Base-Base interactions energy: -2018.872 where: short stacking energy: -861.973 Base-Backbone interact. energy: -2.138 local terms energy: -835.580512 where: bonds (distance) C4'-P energy: -145.679 bonds (distance) P-C4' energy: -154.122 flat angles C4'-P-C4' energy: -177.749 flat angles P-C4'-P energy: -126.139 tors. eta vs tors. theta energy: -231.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2763.684147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.684147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.684147 (E_RNA) where: Base-Base interactions energy: -1967.155 where: short stacking energy: -827.731 Base-Backbone interact. energy: -0.368 local terms energy: -796.161424 where: bonds (distance) C4'-P energy: -133.498 bonds (distance) P-C4' energy: -162.487 flat angles C4'-P-C4' energy: -170.947 flat angles P-C4'-P energy: -114.516 tors. eta vs tors. theta energy: -214.713 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: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2634.289607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.289607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.289607 (E_RNA) where: Base-Base interactions energy: -1831.478 where: short stacking energy: -770.967 Base-Backbone interact. energy: -6.616 local terms energy: -796.195086 where: bonds (distance) C4'-P energy: -154.128 bonds (distance) P-C4' energy: -134.699 flat angles C4'-P-C4' energy: -191.745 flat angles P-C4'-P energy: -120.103 tors. eta vs tors. theta energy: -195.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2513.590234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.590234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.590234 (E_RNA) where: Base-Base interactions energy: -1785.403 where: short stacking energy: -722.035 Base-Backbone interact. energy: -2.295 local terms energy: -725.893081 where: bonds (distance) C4'-P energy: -141.274 bonds (distance) P-C4' energy: -141.171 flat angles C4'-P-C4' energy: -159.000 flat angles P-C4'-P energy: -97.667 tors. eta vs tors. theta energy: -186.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2384.637622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.637622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.637622 (E_RNA) where: Base-Base interactions energy: -1666.665 where: short stacking energy: -693.314 Base-Backbone interact. energy: -5.797 local terms energy: -712.176162 where: bonds (distance) C4'-P energy: -140.268 bonds (distance) P-C4' energy: -138.014 flat angles C4'-P-C4' energy: -165.557 flat angles P-C4'-P energy: -93.416 tors. eta vs tors. theta energy: -174.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2211.296881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.296881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.296881 (E_RNA) where: Base-Base interactions energy: -1542.708 where: short stacking energy: -649.860 Base-Backbone interact. energy: -0.976 local terms energy: -667.612206 where: bonds (distance) C4'-P energy: -138.917 bonds (distance) P-C4' energy: -134.571 flat angles C4'-P-C4' energy: -142.115 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -158.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -2042.607162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.607162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.607162 (E_RNA) where: Base-Base interactions energy: -1430.578 where: short stacking energy: -599.662 Base-Backbone interact. energy: -4.799 local terms energy: -607.230576 where: bonds (distance) C4'-P energy: -127.238 bonds (distance) P-C4' energy: -139.984 flat angles C4'-P-C4' energy: -137.208 flat angles P-C4'-P energy: -76.587 tors. eta vs tors. theta energy: -126.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1642.374359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.374359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.374359 (E_RNA) where: Base-Base interactions energy: -1085.887 where: short stacking energy: -489.866 Base-Backbone interact. energy: 4.320 local terms energy: -560.807327 where: bonds (distance) C4'-P energy: -129.779 bonds (distance) P-C4' energy: -136.530 flat angles C4'-P-C4' energy: -123.234 flat angles P-C4'-P energy: -72.237 tors. eta vs tors. theta energy: -99.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1358.570583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.570583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.570583 (E_RNA) where: Base-Base interactions energy: -866.630 where: short stacking energy: -435.904 Base-Backbone interact. energy: 1.368 local terms energy: -493.309203 where: bonds (distance) C4'-P energy: -110.880 bonds (distance) P-C4' energy: -132.328 flat angles C4'-P-C4' energy: -117.793 flat angles P-C4'-P energy: -65.083 tors. eta vs tors. theta energy: -67.224 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: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2933.555912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.555912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.555912 (E_RNA) where: Base-Base interactions energy: -2103.800 where: short stacking energy: -888.798 Base-Backbone interact. energy: -6.193 local terms energy: -823.562127 where: bonds (distance) C4'-P energy: -153.500 bonds (distance) P-C4' energy: -135.931 flat angles C4'-P-C4' energy: -167.767 flat angles P-C4'-P energy: -132.808 tors. eta vs tors. theta energy: -233.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2860.554299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.554299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.554299 (E_RNA) where: Base-Base interactions energy: -2042.507 where: short stacking energy: -875.728 Base-Backbone interact. energy: -2.353 local terms energy: -815.694016 where: bonds (distance) C4'-P energy: -135.804 bonds (distance) P-C4' energy: -155.393 flat angles C4'-P-C4' energy: -182.405 flat angles P-C4'-P energy: -110.980 tors. eta vs tors. theta energy: -231.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2774.030448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.030448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.030448 (E_RNA) where: Base-Base interactions energy: -1973.858 where: short stacking energy: -822.935 Base-Backbone interact. energy: 2.789 local terms energy: -802.962097 where: bonds (distance) C4'-P energy: -138.173 bonds (distance) P-C4' energy: -150.619 flat angles C4'-P-C4' energy: -176.420 flat angles P-C4'-P energy: -123.524 tors. eta vs tors. theta energy: -214.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2619.106309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.106309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.106309 (E_RNA) where: Base-Base interactions energy: -1856.479 where: short stacking energy: -759.458 Base-Backbone interact. energy: -5.011 local terms energy: -757.615736 where: bonds (distance) C4'-P energy: -134.406 bonds (distance) P-C4' energy: -146.660 flat angles C4'-P-C4' energy: -164.890 flat angles P-C4'-P energy: -114.643 tors. eta vs tors. theta energy: -197.018 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: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2529.854449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.854449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.854449 (E_RNA) where: Base-Base interactions energy: -1784.827 where: short stacking energy: -765.135 Base-Backbone interact. energy: -1.598 local terms energy: -743.429502 where: bonds (distance) C4'-P energy: -127.388 bonds (distance) P-C4' energy: -138.668 flat angles C4'-P-C4' energy: -164.370 flat angles P-C4'-P energy: -107.129 tors. eta vs tors. theta energy: -205.873 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: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2420.888236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.888236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.888236 (E_RNA) where: Base-Base interactions energy: -1709.679 where: short stacking energy: -705.313 Base-Backbone interact. energy: 5.915 local terms energy: -717.124868 where: bonds (distance) C4'-P energy: -135.060 bonds (distance) P-C4' energy: -147.055 flat angles C4'-P-C4' energy: -157.173 flat angles P-C4'-P energy: -98.492 tors. eta vs tors. theta energy: -179.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2273.723365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.723365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.723365 (E_RNA) where: Base-Base interactions energy: -1589.535 where: short stacking energy: -670.574 Base-Backbone interact. energy: -1.497 local terms energy: -682.691953 where: bonds (distance) C4'-P energy: -133.211 bonds (distance) P-C4' energy: -138.568 flat angles C4'-P-C4' energy: -161.788 flat angles P-C4'-P energy: -99.931 tors. eta vs tors. theta energy: -149.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -2022.163301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.163301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.163301 (E_RNA) where: Base-Base interactions energy: -1399.602 where: short stacking energy: -616.489 Base-Backbone interact. energy: -4.480 local terms energy: -618.081991 where: bonds (distance) C4'-P energy: -123.077 bonds (distance) P-C4' energy: -138.145 flat angles C4'-P-C4' energy: -131.456 flat angles P-C4'-P energy: -90.062 tors. eta vs tors. theta energy: -135.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1652.205281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.205281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.205281 (E_RNA) where: Base-Base interactions energy: -1096.237 where: short stacking energy: -460.084 Base-Backbone interact. energy: 3.598 local terms energy: -559.566674 where: bonds (distance) C4'-P energy: -133.467 bonds (distance) P-C4' energy: -138.867 flat angles C4'-P-C4' energy: -114.526 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -83.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1408.107822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.107822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.107822 (E_RNA) where: Base-Base interactions energy: -899.538 where: short stacking energy: -424.170 Base-Backbone interact. energy: 5.800 local terms energy: -514.370032 where: bonds (distance) C4'-P energy: -120.253 bonds (distance) P-C4' energy: -134.188 flat angles C4'-P-C4' energy: -122.043 flat angles P-C4'-P energy: -79.431 tors. eta vs tors. theta energy: -58.455 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: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2976.711161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.711161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.711161 (E_RNA) where: Base-Base interactions energy: -2110.311 where: short stacking energy: -895.950 Base-Backbone interact. energy: -5.186 local terms energy: -861.213659 where: bonds (distance) C4'-P energy: -160.602 bonds (distance) P-C4' energy: -166.270 flat angles C4'-P-C4' energy: -183.770 flat angles P-C4'-P energy: -107.492 tors. eta vs tors. theta energy: -243.081 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: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2835.533029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.533029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.533029 (E_RNA) where: Base-Base interactions energy: -2012.985 where: short stacking energy: -877.953 Base-Backbone interact. energy: -2.243 local terms energy: -820.304963 where: bonds (distance) C4'-P energy: -150.109 bonds (distance) P-C4' energy: -158.672 flat angles C4'-P-C4' energy: -175.408 flat angles P-C4'-P energy: -116.997 tors. eta vs tors. theta energy: -219.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2751.244833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.244833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.244833 (E_RNA) where: Base-Base interactions energy: -1975.407 where: short stacking energy: -833.084 Base-Backbone interact. energy: -3.315 local terms energy: -772.522527 where: bonds (distance) C4'-P energy: -132.174 bonds (distance) P-C4' energy: -148.597 flat angles C4'-P-C4' energy: -165.008 flat angles P-C4'-P energy: -115.571 tors. eta vs tors. theta energy: -211.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2674.339752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.339752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.339752 (E_RNA) where: Base-Base interactions energy: -1900.942 where: short stacking energy: -801.721 Base-Backbone interact. energy: -1.750 local terms energy: -771.647267 where: bonds (distance) C4'-P energy: -128.609 bonds (distance) P-C4' energy: -154.388 flat angles C4'-P-C4' energy: -164.660 flat angles P-C4'-P energy: -121.866 tors. eta vs tors. theta energy: -202.124 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: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2485.752034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.752034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.752034 (E_RNA) where: Base-Base interactions energy: -1790.535 where: short stacking energy: -708.266 Base-Backbone interact. energy: -2.173 local terms energy: -693.044552 where: bonds (distance) C4'-P energy: -136.186 bonds (distance) P-C4' energy: -101.641 flat angles C4'-P-C4' energy: -159.884 flat angles P-C4'-P energy: -104.197 tors. eta vs tors. theta energy: -191.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2412.441874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.441874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.441874 (E_RNA) where: Base-Base interactions energy: -1703.021 where: short stacking energy: -733.078 Base-Backbone interact. energy: 4.046 local terms energy: -713.466800 where: bonds (distance) C4'-P energy: -132.005 bonds (distance) P-C4' energy: -138.981 flat angles C4'-P-C4' energy: -153.940 flat angles P-C4'-P energy: -106.359 tors. eta vs tors. theta energy: -182.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2318.946847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.946847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.946847 (E_RNA) where: Base-Base interactions energy: -1641.708 where: short stacking energy: -697.736 Base-Backbone interact. energy: -3.396 local terms energy: -673.842321 where: bonds (distance) C4'-P energy: -129.571 bonds (distance) P-C4' energy: -126.922 flat angles C4'-P-C4' energy: -161.351 flat angles P-C4'-P energy: -91.968 tors. eta vs tors. theta energy: -164.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1928.739438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.739438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.739438 (E_RNA) where: Base-Base interactions energy: -1316.165 where: short stacking energy: -555.877 Base-Backbone interact. energy: -3.535 local terms energy: -609.039410 where: bonds (distance) C4'-P energy: -123.929 bonds (distance) P-C4' energy: -115.192 flat angles C4'-P-C4' energy: -153.202 flat angles P-C4'-P energy: -106.318 tors. eta vs tors. theta energy: -110.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1682.639830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.639830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.639830 (E_RNA) where: Base-Base interactions energy: -1088.895 where: short stacking energy: -473.667 Base-Backbone interact. energy: -1.863 local terms energy: -591.881606 where: bonds (distance) C4'-P energy: -129.149 bonds (distance) P-C4' energy: -141.531 flat angles C4'-P-C4' energy: -131.736 flat angles P-C4'-P energy: -90.880 tors. eta vs tors. theta energy: -98.586 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: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1406.313943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.313943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.313943 (E_RNA) where: Base-Base interactions energy: -875.394 where: short stacking energy: -407.798 Base-Backbone interact. energy: -1.185 local terms energy: -529.735046 where: bonds (distance) C4'-P energy: -130.062 bonds (distance) P-C4' energy: -139.979 flat angles C4'-P-C4' energy: -119.965 flat angles P-C4'-P energy: -89.141 tors. eta vs tors. theta energy: -50.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2952.295838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.295838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.295838 (E_RNA) where: Base-Base interactions energy: -2100.354 where: short stacking energy: -873.986 Base-Backbone interact. energy: -3.493 local terms energy: -848.448668 where: bonds (distance) C4'-P energy: -164.624 bonds (distance) P-C4' energy: -158.321 flat angles C4'-P-C4' energy: -173.392 flat angles P-C4'-P energy: -125.348 tors. eta vs tors. theta energy: -226.764 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: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2867.153193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.153193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.153193 (E_RNA) where: Base-Base interactions energy: -2006.005 where: short stacking energy: -852.024 Base-Backbone interact. energy: -4.071 local terms energy: -857.077811 where: bonds (distance) C4'-P energy: -155.536 bonds (distance) P-C4' energy: -165.906 flat angles C4'-P-C4' energy: -184.370 flat angles P-C4'-P energy: -120.458 tors. eta vs tors. theta energy: -230.808 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: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2750.627229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.627229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.627229 (E_RNA) where: Base-Base interactions energy: -1927.504 where: short stacking energy: -816.114 Base-Backbone interact. energy: -2.716 local terms energy: -820.407635 where: bonds (distance) C4'-P energy: -151.397 bonds (distance) P-C4' energy: -153.113 flat angles C4'-P-C4' energy: -187.435 flat angles P-C4'-P energy: -109.260 tors. eta vs tors. theta energy: -219.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2643.449396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.449396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.449396 (E_RNA) where: Base-Base interactions energy: -1879.806 where: short stacking energy: -805.106 Base-Backbone interact. energy: -6.327 local terms energy: -757.316293 where: bonds (distance) C4'-P energy: -128.102 bonds (distance) P-C4' energy: -136.901 flat angles C4'-P-C4' energy: -173.629 flat angles P-C4'-P energy: -104.146 tors. eta vs tors. theta energy: -214.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2478.900189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.900189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.900189 (E_RNA) where: Base-Base interactions energy: -1738.798 where: short stacking energy: -727.917 Base-Backbone interact. energy: -0.063 local terms energy: -740.039420 where: bonds (distance) C4'-P energy: -126.099 bonds (distance) P-C4' energy: -137.949 flat angles C4'-P-C4' energy: -175.019 flat angles P-C4'-P energy: -106.745 tors. eta vs tors. theta energy: -194.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2464.824076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.824076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.824076 (E_RNA) where: Base-Base interactions energy: -1725.932 where: short stacking energy: -715.108 Base-Backbone interact. energy: -3.853 local terms energy: -735.039533 where: bonds (distance) C4'-P energy: -148.232 bonds (distance) P-C4' energy: -140.010 flat angles C4'-P-C4' energy: -170.572 flat angles P-C4'-P energy: -97.065 tors. eta vs tors. theta energy: -179.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2272.155678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.155678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.155678 (E_RNA) where: Base-Base interactions energy: -1590.814 where: short stacking energy: -667.577 Base-Backbone interact. energy: 1.545 local terms energy: -682.887323 where: bonds (distance) C4'-P energy: -130.728 bonds (distance) P-C4' energy: -147.578 flat angles C4'-P-C4' energy: -156.002 flat angles P-C4'-P energy: -84.511 tors. eta vs tors. theta energy: -164.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1932.781371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.781371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.781371 (E_RNA) where: Base-Base interactions energy: -1312.523 where: short stacking energy: -557.816 Base-Backbone interact. energy: -3.424 local terms energy: -616.833885 where: bonds (distance) C4'-P energy: -139.215 bonds (distance) P-C4' energy: -139.705 flat angles C4'-P-C4' energy: -147.737 flat angles P-C4'-P energy: -78.470 tors. eta vs tors. theta energy: -111.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1722.066043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.066043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.066043 (E_RNA) where: Base-Base interactions energy: -1208.241 where: short stacking energy: -533.480 Base-Backbone interact. energy: -3.657 local terms energy: -510.167773 where: bonds (distance) C4'-P energy: -112.625 bonds (distance) P-C4' energy: -108.644 flat angles C4'-P-C4' energy: -118.811 flat angles P-C4'-P energy: -75.840 tors. eta vs tors. theta energy: -94.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1360.783292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.783292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.783292 (E_RNA) where: Base-Base interactions energy: -868.424 where: short stacking energy: -388.957 Base-Backbone interact. energy: 1.471 local terms energy: -493.829815 where: bonds (distance) C4'-P energy: -107.979 bonds (distance) P-C4' energy: -134.173 flat angles C4'-P-C4' energy: -100.071 flat angles P-C4'-P energy: -103.131 tors. eta vs tors. theta energy: -48.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2941.937726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.937726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.937726 (E_RNA) where: Base-Base interactions energy: -2090.414 where: short stacking energy: -876.427 Base-Backbone interact. energy: -3.582 local terms energy: -847.941802 where: bonds (distance) C4'-P energy: -160.588 bonds (distance) P-C4' energy: -166.563 flat angles C4'-P-C4' energy: -184.624 flat angles P-C4'-P energy: -110.929 tors. eta vs tors. theta energy: -225.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2885.293363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.293363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.293363 (E_RNA) where: Base-Base interactions energy: -2022.483 where: short stacking energy: -875.170 Base-Backbone interact. energy: -3.186 local terms energy: -859.623866 where: bonds (distance) C4'-P energy: -145.980 bonds (distance) P-C4' energy: -162.333 flat angles C4'-P-C4' energy: -192.246 flat angles P-C4'-P energy: -132.744 tors. eta vs tors. theta energy: -226.321 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: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2757.102179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.102179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.102179 (E_RNA) where: Base-Base interactions energy: -1977.333 where: short stacking energy: -825.192 Base-Backbone interact. energy: -0.850 local terms energy: -778.919124 where: bonds (distance) C4'-P energy: -152.721 bonds (distance) P-C4' energy: -137.756 flat angles C4'-P-C4' energy: -172.771 flat angles P-C4'-P energy: -99.404 tors. eta vs tors. theta energy: -216.268 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: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2681.591280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.591280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.591280 (E_RNA) where: Base-Base interactions energy: -1875.505 where: short stacking energy: -812.519 Base-Backbone interact. energy: -1.527 local terms energy: -804.558572 where: bonds (distance) C4'-P energy: -143.168 bonds (distance) P-C4' energy: -155.598 flat angles C4'-P-C4' energy: -174.945 flat angles P-C4'-P energy: -118.249 tors. eta vs tors. theta energy: -212.598 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: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2496.721127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.721127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.721127 (E_RNA) where: Base-Base interactions energy: -1767.151 where: short stacking energy: -723.556 Base-Backbone interact. energy: -5.409 local terms energy: -724.161104 where: bonds (distance) C4'-P energy: -147.697 bonds (distance) P-C4' energy: -143.845 flat angles C4'-P-C4' energy: -166.345 flat angles P-C4'-P energy: -83.256 tors. eta vs tors. theta energy: -183.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2398.656343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.656343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.656343 (E_RNA) where: Base-Base interactions energy: -1724.615 where: short stacking energy: -721.062 Base-Backbone interact. energy: -3.950 local terms energy: -670.091591 where: bonds (distance) C4'-P energy: -133.750 bonds (distance) P-C4' energy: -118.443 flat angles C4'-P-C4' energy: -156.704 flat angles P-C4'-P energy: -83.700 tors. eta vs tors. theta energy: -177.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2283.607851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.607851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.607851 (E_RNA) where: Base-Base interactions energy: -1626.882 where: short stacking energy: -693.880 Base-Backbone interact. energy: -2.052 local terms energy: -654.673196 where: bonds (distance) C4'-P energy: -120.545 bonds (distance) P-C4' energy: -113.207 flat angles C4'-P-C4' energy: -159.557 flat angles P-C4'-P energy: -88.070 tors. eta vs tors. theta energy: -173.294 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: 164 Temperature: 1.250000 Total energy: -1876.097755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.097755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.097755 (E_RNA) where: Base-Base interactions energy: -1248.521 where: short stacking energy: -554.072 Base-Backbone interact. energy: -2.018 local terms energy: -625.559408 where: bonds (distance) C4'-P energy: -135.741 bonds (distance) P-C4' energy: -144.887 flat angles C4'-P-C4' energy: -145.156 flat angles P-C4'-P energy: -72.469 tors. eta vs tors. theta energy: -127.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1674.387171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.387171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.387171 (E_RNA) where: Base-Base interactions energy: -1099.684 where: short stacking energy: -468.593 Base-Backbone interact. energy: -2.709 local terms energy: -571.994236 where: bonds (distance) C4'-P energy: -138.397 bonds (distance) P-C4' energy: -133.891 flat angles C4'-P-C4' energy: -135.726 flat angles P-C4'-P energy: -76.983 tors. eta vs tors. theta energy: -86.997 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: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1373.803846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.803846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.803846 (E_RNA) where: Base-Base interactions energy: -844.031 where: short stacking energy: -402.745 Base-Backbone interact. energy: -3.926 local terms energy: -525.846109 where: bonds (distance) C4'-P energy: -120.465 bonds (distance) P-C4' energy: -124.618 flat angles C4'-P-C4' energy: -134.653 flat angles P-C4'-P energy: -74.640 tors. eta vs tors. theta energy: -71.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2977.384554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.384554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.384554 (E_RNA) where: Base-Base interactions energy: -2094.009 where: short stacking energy: -900.694 Base-Backbone interact. energy: -6.074 local terms energy: -877.301757 where: bonds (distance) C4'-P energy: -156.227 bonds (distance) P-C4' energy: -165.408 flat angles C4'-P-C4' energy: -181.302 flat angles P-C4'-P energy: -134.425 tors. eta vs tors. theta energy: -239.940 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: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2884.342365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.342365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.342365 (E_RNA) where: Base-Base interactions energy: -2028.465 where: short stacking energy: -851.462 Base-Backbone interact. energy: -2.272 local terms energy: -853.605018 where: bonds (distance) C4'-P energy: -139.854 bonds (distance) P-C4' energy: -162.555 flat angles C4'-P-C4' energy: -197.830 flat angles P-C4'-P energy: -122.209 tors. eta vs tors. theta energy: -231.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2774.541747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.541747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.541747 (E_RNA) where: Base-Base interactions energy: -1970.201 where: short stacking energy: -806.794 Base-Backbone interact. energy: -1.457 local terms energy: -802.884054 where: bonds (distance) C4'-P energy: -154.307 bonds (distance) P-C4' energy: -158.023 flat angles C4'-P-C4' energy: -170.306 flat angles P-C4'-P energy: -99.466 tors. eta vs tors. theta energy: -220.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2636.422090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.422090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.422090 (E_RNA) where: Base-Base interactions energy: -1857.497 where: short stacking energy: -785.207 Base-Backbone interact. energy: -3.094 local terms energy: -775.831180 where: bonds (distance) C4'-P energy: -145.351 bonds (distance) P-C4' energy: -140.747 flat angles C4'-P-C4' energy: -172.493 flat angles P-C4'-P energy: -109.906 tors. eta vs tors. theta energy: -207.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2508.850917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.850917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.850917 (E_RNA) where: Base-Base interactions energy: -1751.301 where: short stacking energy: -751.917 Base-Backbone interact. energy: -0.232 local terms energy: -757.317900 where: bonds (distance) C4'-P energy: -141.391 bonds (distance) P-C4' energy: -141.784 flat angles C4'-P-C4' energy: -161.331 flat angles P-C4'-P energy: -109.539 tors. eta vs tors. theta energy: -203.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2412.862906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.862906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.862906 (E_RNA) where: Base-Base interactions energy: -1703.865 where: short stacking energy: -717.377 Base-Backbone interact. energy: -2.353 local terms energy: -706.645062 where: bonds (distance) C4'-P energy: -135.825 bonds (distance) P-C4' energy: -132.771 flat angles C4'-P-C4' energy: -158.121 flat angles P-C4'-P energy: -90.052 tors. eta vs tors. theta energy: -189.876 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: 3 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -2309.044336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.044336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.044336 (E_RNA) where: Base-Base interactions energy: -1623.593 where: short stacking energy: -686.155 Base-Backbone interact. energy: -3.706 local terms energy: -681.745112 where: bonds (distance) C4'-P energy: -127.268 bonds (distance) P-C4' energy: -135.228 flat angles C4'-P-C4' energy: -149.900 flat angles P-C4'-P energy: -93.701 tors. eta vs tors. theta energy: -175.648 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: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1996.289507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.289507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.289507 (E_RNA) where: Base-Base interactions energy: -1348.532 where: short stacking energy: -593.809 Base-Backbone interact. energy: -6.299 local terms energy: -641.457854 where: bonds (distance) C4'-P energy: -114.428 bonds (distance) P-C4' energy: -139.106 flat angles C4'-P-C4' energy: -147.004 flat angles P-C4'-P energy: -94.097 tors. eta vs tors. theta energy: -146.823 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: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1634.743062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.743062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.743062 (E_RNA) where: Base-Base interactions energy: -1068.353 where: short stacking energy: -475.564 Base-Backbone interact. energy: -2.680 local terms energy: -563.709556 where: bonds (distance) C4'-P energy: -132.392 bonds (distance) P-C4' energy: -116.837 flat angles C4'-P-C4' energy: -131.245 flat angles P-C4'-P energy: -97.381 tors. eta vs tors. theta energy: -85.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1365.600790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.600790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.600790 (E_RNA) where: Base-Base interactions energy: -861.117 where: short stacking energy: -398.643 Base-Backbone interact. energy: 4.062 local terms energy: -508.546645 where: bonds (distance) C4'-P energy: -119.170 bonds (distance) P-C4' energy: -134.163 flat angles C4'-P-C4' energy: -140.247 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -49.629 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: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2971.761894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.761894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.761894 (E_RNA) where: Base-Base interactions energy: -2100.642 where: short stacking energy: -883.638 Base-Backbone interact. energy: -5.615 local terms energy: -865.504614 where: bonds (distance) C4'-P energy: -164.396 bonds (distance) P-C4' energy: -175.903 flat angles C4'-P-C4' energy: -170.340 flat angles P-C4'-P energy: -117.446 tors. eta vs tors. theta energy: -237.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2831.970890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.970890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.970890 (E_RNA) where: Base-Base interactions energy: -1995.960 where: short stacking energy: -872.799 Base-Backbone interact. energy: 0.160 local terms energy: -836.171064 where: bonds (distance) C4'-P energy: -141.496 bonds (distance) P-C4' energy: -161.511 flat angles C4'-P-C4' energy: -191.460 flat angles P-C4'-P energy: -122.872 tors. eta vs tors. theta energy: -218.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2781.479083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.479083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.479083 (E_RNA) where: Base-Base interactions energy: -1966.185 where: short stacking energy: -841.881 Base-Backbone interact. energy: -2.201 local terms energy: -813.093217 where: bonds (distance) C4'-P energy: -142.437 bonds (distance) P-C4' energy: -147.583 flat angles C4'-P-C4' energy: -181.328 flat angles P-C4'-P energy: -122.664 tors. eta vs tors. theta energy: -219.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2675.223399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.223399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.223399 (E_RNA) where: Base-Base interactions energy: -1885.474 where: short stacking energy: -813.786 Base-Backbone interact. energy: -3.138 local terms energy: -786.612313 where: bonds (distance) C4'-P energy: -141.875 bonds (distance) P-C4' energy: -137.125 flat angles C4'-P-C4' energy: -176.652 flat angles P-C4'-P energy: -113.835 tors. eta vs tors. theta energy: -217.125 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: 10 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2480.363822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.363822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.363822 (E_RNA) where: Base-Base interactions energy: -1749.124 where: short stacking energy: -768.478 Base-Backbone interact. energy: -2.260 local terms energy: -728.979951 where: bonds (distance) C4'-P energy: -123.967 bonds (distance) P-C4' energy: -155.467 flat angles C4'-P-C4' energy: -156.650 flat angles P-C4'-P energy: -95.593 tors. eta vs tors. theta energy: -197.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2424.250003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.250003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.250003 (E_RNA) where: Base-Base interactions energy: -1707.999 where: short stacking energy: -745.544 Base-Backbone interact. energy: -3.108 local terms energy: -713.142648 where: bonds (distance) C4'-P energy: -128.082 bonds (distance) P-C4' energy: -145.522 flat angles C4'-P-C4' energy: -160.719 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -190.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2327.817902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.817902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.817902 (E_RNA) where: Base-Base interactions energy: -1613.477 where: short stacking energy: -686.124 Base-Backbone interact. energy: -4.305 local terms energy: -710.036388 where: bonds (distance) C4'-P energy: -131.353 bonds (distance) P-C4' energy: -148.732 flat angles C4'-P-C4' energy: -147.218 flat angles P-C4'-P energy: -107.078 tors. eta vs tors. theta energy: -175.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1954.964456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.964456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.964456 (E_RNA) where: Base-Base interactions energy: -1326.279 where: short stacking energy: -560.053 Base-Backbone interact. energy: -3.481 local terms energy: -625.204107 where: bonds (distance) C4'-P energy: -123.540 bonds (distance) P-C4' energy: -134.937 flat angles C4'-P-C4' energy: -132.443 flat angles P-C4'-P energy: -103.647 tors. eta vs tors. theta energy: -130.637 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: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1540.687534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.687534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.687534 (E_RNA) where: Base-Base interactions energy: -1035.817 where: short stacking energy: -450.349 Base-Backbone interact. energy: 5.348 local terms energy: -510.218215 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -125.059 flat angles C4'-P-C4' energy: -112.702 flat angles P-C4'-P energy: -80.771 tors. eta vs tors. theta energy: -67.201 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: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1365.250702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.250702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.250702 (E_RNA) where: Base-Base interactions energy: -873.420 where: short stacking energy: -406.382 Base-Backbone interact. energy: -1.426 local terms energy: -490.404866 where: bonds (distance) C4'-P energy: -117.593 bonds (distance) P-C4' energy: -125.306 flat angles C4'-P-C4' energy: -130.731 flat angles P-C4'-P energy: -71.968 tors. eta vs tors. theta energy: -44.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2966.359883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.359883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.359883 (E_RNA) where: Base-Base interactions energy: -2097.404 where: short stacking energy: -887.498 Base-Backbone interact. energy: -4.058 local terms energy: -864.897775 where: bonds (distance) C4'-P energy: -155.905 bonds (distance) P-C4' energy: -163.538 flat angles C4'-P-C4' energy: -173.333 flat angles P-C4'-P energy: -124.520 tors. eta vs tors. theta energy: -247.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2811.687404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.687404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.687404 (E_RNA) where: Base-Base interactions energy: -1950.306 where: short stacking energy: -850.183 Base-Backbone interact. energy: -3.574 local terms energy: -857.806651 where: bonds (distance) C4'-P energy: -171.042 bonds (distance) P-C4' energy: -158.372 flat angles C4'-P-C4' energy: -175.809 flat angles P-C4'-P energy: -120.669 tors. eta vs tors. theta energy: -231.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2771.168072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.168072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.168072 (E_RNA) where: Base-Base interactions energy: -1970.065 where: short stacking energy: -823.511 Base-Backbone interact. energy: -0.769 local terms energy: -800.334247 where: bonds (distance) C4'-P energy: -149.233 bonds (distance) P-C4' energy: -150.457 flat angles C4'-P-C4' energy: -167.486 flat angles P-C4'-P energy: -120.744 tors. eta vs tors. theta energy: -212.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2671.743120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.743120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.743120 (E_RNA) where: Base-Base interactions energy: -1877.574 where: short stacking energy: -811.187 Base-Backbone interact. energy: -2.822 local terms energy: -791.347138 where: bonds (distance) C4'-P energy: -157.948 bonds (distance) P-C4' energy: -146.443 flat angles C4'-P-C4' energy: -161.290 flat angles P-C4'-P energy: -106.813 tors. eta vs tors. theta energy: -218.853 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: 5, replica: 10 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2585.312358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.312358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.312358 (E_RNA) where: Base-Base interactions energy: -1841.105 where: short stacking energy: -766.998 Base-Backbone interact. energy: 4.300 local terms energy: -748.507980 where: bonds (distance) C4'-P energy: -124.959 bonds (distance) P-C4' energy: -138.065 flat angles C4'-P-C4' energy: -166.231 flat angles P-C4'-P energy: -114.429 tors. eta vs tors. theta energy: -204.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2415.664648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.664648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.664648 (E_RNA) where: Base-Base interactions energy: -1707.440 where: short stacking energy: -734.512 Base-Backbone interact. energy: -0.915 local terms energy: -707.309468 where: bonds (distance) C4'-P energy: -124.130 bonds (distance) P-C4' energy: -138.258 flat angles C4'-P-C4' energy: -166.671 flat angles P-C4'-P energy: -83.785 tors. eta vs tors. theta energy: -194.465 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: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2247.117367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.117367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.117367 (E_RNA) where: Base-Base interactions energy: -1571.256 where: short stacking energy: -665.331 Base-Backbone interact. energy: 8.961 local terms energy: -684.822105 where: bonds (distance) C4'-P energy: -130.534 bonds (distance) P-C4' energy: -137.683 flat angles C4'-P-C4' energy: -153.945 flat angles P-C4'-P energy: -81.339 tors. eta vs tors. theta energy: -181.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1932.069811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.069811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.069811 (E_RNA) where: Base-Base interactions energy: -1336.447 where: short stacking energy: -557.008 Base-Backbone interact. energy: -1.949 local terms energy: -593.673927 where: bonds (distance) C4'-P energy: -133.604 bonds (distance) P-C4' energy: -144.432 flat angles C4'-P-C4' energy: -120.628 flat angles P-C4'-P energy: -74.019 tors. eta vs tors. theta energy: -120.990 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: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1563.894037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.894037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.894037 (E_RNA) where: Base-Base interactions energy: -1040.609 where: short stacking energy: -467.027 Base-Backbone interact. energy: -2.093 local terms energy: -521.191868 where: bonds (distance) C4'-P energy: -115.538 bonds (distance) P-C4' energy: -127.892 flat angles C4'-P-C4' energy: -128.062 flat angles P-C4'-P energy: -78.393 tors. eta vs tors. theta energy: -71.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1423.950591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.950591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.950591 (E_RNA) where: Base-Base interactions energy: -914.989 where: short stacking energy: -409.959 Base-Backbone interact. energy: 6.201 local terms energy: -515.163159 where: bonds (distance) C4'-P energy: -137.232 bonds (distance) P-C4' energy: -131.251 flat angles C4'-P-C4' energy: -104.971 flat angles P-C4'-P energy: -64.595 tors. eta vs tors. theta energy: -77.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2936.226472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.226472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.226472 (E_RNA) where: Base-Base interactions energy: -2084.085 where: short stacking energy: -879.938 Base-Backbone interact. energy: -2.792 local terms energy: -849.349244 where: bonds (distance) C4'-P energy: -151.552 bonds (distance) P-C4' energy: -157.807 flat angles C4'-P-C4' energy: -179.177 flat angles P-C4'-P energy: -133.553 tors. eta vs tors. theta energy: -227.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2841.030803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.030803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.030803 (E_RNA) where: Base-Base interactions energy: -1958.958 where: short stacking energy: -825.678 Base-Backbone interact. energy: -3.022 local terms energy: -879.050870 where: bonds (distance) C4'-P energy: -161.663 bonds (distance) P-C4' energy: -175.867 flat angles C4'-P-C4' energy: -188.600 flat angles P-C4'-P energy: -128.225 tors. eta vs tors. theta energy: -224.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2803.566341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.566341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.566341 (E_RNA) where: Base-Base interactions energy: -1999.097 where: short stacking energy: -833.557 Base-Backbone interact. energy: -2.949 local terms energy: -801.520342 where: bonds (distance) C4'-P energy: -142.952 bonds (distance) P-C4' energy: -153.020 flat angles C4'-P-C4' energy: -178.632 flat angles P-C4'-P energy: -111.031 tors. eta vs tors. theta energy: -215.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2668.175402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.175402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.175402 (E_RNA) where: Base-Base interactions energy: -1890.038 where: short stacking energy: -821.718 Base-Backbone interact. energy: -5.650 local terms energy: -772.487382 where: bonds (distance) C4'-P energy: -128.336 bonds (distance) P-C4' energy: -148.819 flat angles C4'-P-C4' energy: -181.023 flat angles P-C4'-P energy: -100.493 tors. eta vs tors. theta energy: -213.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2558.036175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.036175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.036175 (E_RNA) where: Base-Base interactions energy: -1809.586 where: short stacking energy: -766.062 Base-Backbone interact. energy: -0.644 local terms energy: -747.805876 where: bonds (distance) C4'-P energy: -147.753 bonds (distance) P-C4' energy: -131.086 flat angles C4'-P-C4' energy: -161.393 flat angles P-C4'-P energy: -109.643 tors. eta vs tors. theta energy: -197.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2376.337329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.337329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.337329 (E_RNA) where: Base-Base interactions energy: -1673.379 where: short stacking energy: -715.026 Base-Backbone interact. energy: 3.074 local terms energy: -706.032113 where: bonds (distance) C4'-P energy: -129.866 bonds (distance) P-C4' energy: -157.643 flat angles C4'-P-C4' energy: -148.244 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -178.805 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: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -2231.867884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.867884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.867884 (E_RNA) where: Base-Base interactions energy: -1545.458 where: short stacking energy: -687.496 Base-Backbone interact. energy: 3.059 local terms energy: -689.468684 where: bonds (distance) C4'-P energy: -137.187 bonds (distance) P-C4' energy: -132.796 flat angles C4'-P-C4' energy: -150.162 flat angles P-C4'-P energy: -86.662 tors. eta vs tors. theta energy: -182.661 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: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -2030.359611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.359611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.359611 (E_RNA) where: Base-Base interactions energy: -1391.768 where: short stacking energy: -610.603 Base-Backbone interact. energy: 5.214 local terms energy: -643.804785 where: bonds (distance) C4'-P energy: -148.783 bonds (distance) P-C4' energy: -134.175 flat angles C4'-P-C4' energy: -150.324 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -130.778 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: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1547.182202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.182202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.182202 (E_RNA) where: Base-Base interactions energy: -985.929 where: short stacking energy: -426.422 Base-Backbone interact. energy: -3.099 local terms energy: -558.154356 where: bonds (distance) C4'-P energy: -121.288 bonds (distance) P-C4' energy: -129.378 flat angles C4'-P-C4' energy: -141.399 flat angles P-C4'-P energy: -86.012 tors. eta vs tors. theta energy: -80.076 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: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1452.002190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.002190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.002190 (E_RNA) where: Base-Base interactions energy: -943.472 where: short stacking energy: -431.296 Base-Backbone interact. energy: -0.181 local terms energy: -508.349501 where: bonds (distance) C4'-P energy: -128.959 bonds (distance) P-C4' energy: -120.810 flat angles C4'-P-C4' energy: -122.308 flat angles P-C4'-P energy: -80.830 tors. eta vs tors. theta energy: -55.442 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: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2943.707380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.707380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.707380 (E_RNA) where: Base-Base interactions energy: -2060.365 where: short stacking energy: -877.354 Base-Backbone interact. energy: 0.218 local terms energy: -883.561007 where: bonds (distance) C4'-P energy: -169.938 bonds (distance) P-C4' energy: -159.664 flat angles C4'-P-C4' energy: -183.138 flat angles P-C4'-P energy: -129.739 tors. eta vs tors. theta energy: -241.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2848.444401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.444401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.444401 (E_RNA) where: Base-Base interactions energy: -2010.023 where: short stacking energy: -845.067 Base-Backbone interact. energy: -5.909 local terms energy: -832.512221 where: bonds (distance) C4'-P energy: -146.335 bonds (distance) P-C4' energy: -163.930 flat angles C4'-P-C4' energy: -178.319 flat angles P-C4'-P energy: -130.997 tors. eta vs tors. theta energy: -212.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2747.945588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.945588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.945588 (E_RNA) where: Base-Base interactions energy: -1968.207 where: short stacking energy: -844.532 Base-Backbone interact. energy: -2.572 local terms energy: -777.165712 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -145.004 flat angles C4'-P-C4' energy: -174.959 flat angles P-C4'-P energy: -110.024 tors. eta vs tors. theta energy: -214.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2670.757344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.757344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.757344 (E_RNA) where: Base-Base interactions energy: -1872.831 where: short stacking energy: -786.776 Base-Backbone interact. energy: -1.616 local terms energy: -796.310436 where: bonds (distance) C4'-P energy: -138.355 bonds (distance) P-C4' energy: -146.694 flat angles C4'-P-C4' energy: -180.525 flat angles P-C4'-P energy: -115.936 tors. eta vs tors. theta energy: -214.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2531.629785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.629785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.629785 (E_RNA) where: Base-Base interactions energy: -1784.886 where: short stacking energy: -754.704 Base-Backbone interact. energy: -6.033 local terms energy: -740.710658 where: bonds (distance) C4'-P energy: -137.537 bonds (distance) P-C4' energy: -143.203 flat angles C4'-P-C4' energy: -160.695 flat angles P-C4'-P energy: -104.047 tors. eta vs tors. theta energy: -195.229 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: 8 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2330.463821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.463821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.463821 (E_RNA) where: Base-Base interactions energy: -1605.324 where: short stacking energy: -665.676 Base-Backbone interact. energy: 3.161 local terms energy: -728.300894 where: bonds (distance) C4'-P energy: -137.344 bonds (distance) P-C4' energy: -159.797 flat angles C4'-P-C4' energy: -158.420 flat angles P-C4'-P energy: -92.789 tors. eta vs tors. theta energy: -179.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2288.618702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.618702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.618702 (E_RNA) where: Base-Base interactions energy: -1610.320 where: short stacking energy: -682.308 Base-Backbone interact. energy: -0.706 local terms energy: -677.593018 where: bonds (distance) C4'-P energy: -143.993 bonds (distance) P-C4' energy: -118.631 flat angles C4'-P-C4' energy: -139.436 flat angles P-C4'-P energy: -109.003 tors. eta vs tors. theta energy: -166.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -2036.369754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.369754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.369754 (E_RNA) where: Base-Base interactions energy: -1396.640 where: short stacking energy: -614.128 Base-Backbone interact. energy: -1.547 local terms energy: -638.182963 where: bonds (distance) C4'-P energy: -119.629 bonds (distance) P-C4' energy: -135.648 flat angles C4'-P-C4' energy: -151.885 flat angles P-C4'-P energy: -94.884 tors. eta vs tors. theta energy: -136.136 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: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1660.155330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.155330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.155330 (E_RNA) where: Base-Base interactions energy: -1117.527 where: short stacking energy: -492.982 Base-Backbone interact. energy: -0.879 local terms energy: -541.749458 where: bonds (distance) C4'-P energy: -126.581 bonds (distance) P-C4' energy: -123.134 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -74.247 tors. eta vs tors. theta energy: -81.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1493.267679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.267679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.267679 (E_RNA) where: Base-Base interactions energy: -956.688 where: short stacking energy: -460.079 Base-Backbone interact. energy: 0.238 local terms energy: -536.817738 where: bonds (distance) C4'-P energy: -120.361 bonds (distance) P-C4' energy: -121.989 flat angles C4'-P-C4' energy: -125.939 flat angles P-C4'-P energy: -84.466 tors. eta vs tors. theta energy: -84.062 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: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2907.155644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.155644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.155644 (E_RNA) where: Base-Base interactions energy: -2061.990 where: short stacking energy: -888.285 Base-Backbone interact. energy: -4.809 local terms energy: -840.356303 where: bonds (distance) C4'-P energy: -144.983 bonds (distance) P-C4' energy: -168.970 flat angles C4'-P-C4' energy: -179.449 flat angles P-C4'-P energy: -121.862 tors. eta vs tors. theta energy: -225.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2914.467232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.467232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.467232 (E_RNA) where: Base-Base interactions energy: -2089.577 where: short stacking energy: -867.318 Base-Backbone interact. energy: -2.097 local terms energy: -822.793899 where: bonds (distance) C4'-P energy: -144.879 bonds (distance) P-C4' energy: -172.501 flat angles C4'-P-C4' energy: -167.635 flat angles P-C4'-P energy: -105.745 tors. eta vs tors. theta energy: -232.035 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: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2808.192220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.192220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.192220 (E_RNA) where: Base-Base interactions energy: -2010.672 where: short stacking energy: -831.937 Base-Backbone interact. energy: -5.628 local terms energy: -791.892301 where: bonds (distance) C4'-P energy: -136.967 bonds (distance) P-C4' energy: -142.675 flat angles C4'-P-C4' energy: -171.545 flat angles P-C4'-P energy: -115.023 tors. eta vs tors. theta energy: -225.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2650.627817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.627817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.627817 (E_RNA) where: Base-Base interactions energy: -1871.273 where: short stacking energy: -807.351 Base-Backbone interact. energy: -3.051 local terms energy: -776.303417 where: bonds (distance) C4'-P energy: -121.429 bonds (distance) P-C4' energy: -153.495 flat angles C4'-P-C4' energy: -169.598 flat angles P-C4'-P energy: -127.453 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: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2518.611597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.611597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.611597 (E_RNA) where: Base-Base interactions energy: -1734.602 where: short stacking energy: -758.561 Base-Backbone interact. energy: -4.954 local terms energy: -779.055431 where: bonds (distance) C4'-P energy: -139.403 bonds (distance) P-C4' energy: -155.708 flat angles C4'-P-C4' energy: -166.967 flat angles P-C4'-P energy: -112.720 tors. eta vs tors. theta energy: -204.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2324.916827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.916827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.916827 (E_RNA) where: Base-Base interactions energy: -1582.833 where: short stacking energy: -678.531 Base-Backbone interact. energy: -0.503 local terms energy: -741.580983 where: bonds (distance) C4'-P energy: -147.148 bonds (distance) P-C4' energy: -142.650 flat angles C4'-P-C4' energy: -161.740 flat angles P-C4'-P energy: -109.064 tors. eta vs tors. theta energy: -180.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -2267.699461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.699461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.699461 (E_RNA) where: Base-Base interactions energy: -1580.310 where: short stacking energy: -650.914 Base-Backbone interact. energy: -0.613 local terms energy: -686.776456 where: bonds (distance) C4'-P energy: -123.821 bonds (distance) P-C4' energy: -147.518 flat angles C4'-P-C4' energy: -153.692 flat angles P-C4'-P energy: -92.460 tors. eta vs tors. theta energy: -169.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -2101.964723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.964723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.964723 (E_RNA) where: Base-Base interactions energy: -1512.846 where: short stacking energy: -630.116 Base-Backbone interact. energy: -0.579 local terms energy: -588.540100 where: bonds (distance) C4'-P energy: -118.469 bonds (distance) P-C4' energy: -105.160 flat angles C4'-P-C4' energy: -143.739 flat angles P-C4'-P energy: -88.984 tors. eta vs tors. theta energy: -132.189 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: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1656.848612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.848612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.848612 (E_RNA) where: Base-Base interactions energy: -1098.502 where: short stacking energy: -504.736 Base-Backbone interact. energy: -3.316 local terms energy: -555.030143 where: bonds (distance) C4'-P energy: -122.508 bonds (distance) P-C4' energy: -100.065 flat angles C4'-P-C4' energy: -151.330 flat angles P-C4'-P energy: -89.488 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: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1468.689919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.689919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.689919 (E_RNA) where: Base-Base interactions energy: -978.776 where: short stacking energy: -445.060 Base-Backbone interact. energy: -0.682 local terms energy: -489.231665 where: bonds (distance) C4'-P energy: -101.906 bonds (distance) P-C4' energy: -119.398 flat angles C4'-P-C4' energy: -138.345 flat angles P-C4'-P energy: -55.947 tors. eta vs tors. theta energy: -73.636 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: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2900.474895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.474895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.474895 (E_RNA) where: Base-Base interactions energy: -2058.784 where: short stacking energy: -888.533 Base-Backbone interact. energy: -3.554 local terms energy: -838.136776 where: bonds (distance) C4'-P energy: -156.945 bonds (distance) P-C4' energy: -161.149 flat angles C4'-P-C4' energy: -179.558 flat angles P-C4'-P energy: -114.716 tors. eta vs tors. theta energy: -225.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2851.267039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.267039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.267039 (E_RNA) where: Base-Base interactions energy: -2018.654 where: short stacking energy: -852.481 Base-Backbone interact. energy: -4.232 local terms energy: -828.381306 where: bonds (distance) C4'-P energy: -148.575 bonds (distance) P-C4' energy: -156.552 flat angles C4'-P-C4' energy: -178.605 flat angles P-C4'-P energy: -119.699 tors. eta vs tors. theta energy: -224.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2841.868947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.868947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.868947 (E_RNA) where: Base-Base interactions energy: -2040.508 where: short stacking energy: -838.840 Base-Backbone interact. energy: 1.040 local terms energy: -802.400893 where: bonds (distance) C4'-P energy: -140.415 bonds (distance) P-C4' energy: -161.647 flat angles C4'-P-C4' energy: -165.013 flat angles P-C4'-P energy: -118.440 tors. eta vs tors. theta energy: -216.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2709.079645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.079645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.079645 (E_RNA) where: Base-Base interactions energy: -1896.044 where: short stacking energy: -792.699 Base-Backbone interact. energy: -4.634 local terms energy: -808.401490 where: bonds (distance) C4'-P energy: -148.312 bonds (distance) P-C4' energy: -166.217 flat angles C4'-P-C4' energy: -175.242 flat angles P-C4'-P energy: -101.368 tors. eta vs tors. theta energy: -217.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2525.711587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.711587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.711587 (E_RNA) where: Base-Base interactions energy: -1772.869 where: short stacking energy: -762.715 Base-Backbone interact. energy: -4.030 local terms energy: -748.813410 where: bonds (distance) C4'-P energy: -141.977 bonds (distance) P-C4' energy: -145.353 flat angles C4'-P-C4' energy: -173.475 flat angles P-C4'-P energy: -87.090 tors. eta vs tors. theta energy: -200.918 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: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2306.080347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.080347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.080347 (E_RNA) where: Base-Base interactions energy: -1631.452 where: short stacking energy: -704.008 Base-Backbone interact. energy: -0.769 local terms energy: -673.859371 where: bonds (distance) C4'-P energy: -126.798 bonds (distance) P-C4' energy: -136.704 flat angles C4'-P-C4' energy: -157.649 flat angles P-C4'-P energy: -91.261 tors. eta vs tors. theta energy: -161.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2274.846750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.846750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.846750 (E_RNA) where: Base-Base interactions energy: -1573.431 where: short stacking energy: -662.053 Base-Backbone interact. energy: -3.001 local terms energy: -698.415000 where: bonds (distance) C4'-P energy: -129.240 bonds (distance) P-C4' energy: -156.829 flat angles C4'-P-C4' energy: -155.468 flat angles P-C4'-P energy: -89.109 tors. eta vs tors. theta energy: -167.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -2054.909403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.909403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.909403 (E_RNA) where: Base-Base interactions energy: -1447.399 where: short stacking energy: -580.759 Base-Backbone interact. energy: 1.786 local terms energy: -609.297007 where: bonds (distance) C4'-P energy: -132.530 bonds (distance) P-C4' energy: -129.736 flat angles C4'-P-C4' energy: -144.598 flat angles P-C4'-P energy: -88.092 tors. eta vs tors. theta energy: -114.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1641.188791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.188791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.188791 (E_RNA) where: Base-Base interactions energy: -1103.922 where: short stacking energy: -489.888 Base-Backbone interact. energy: -2.366 local terms energy: -534.900267 where: bonds (distance) C4'-P energy: -124.146 bonds (distance) P-C4' energy: -142.108 flat angles C4'-P-C4' energy: -103.419 flat angles P-C4'-P energy: -79.407 tors. eta vs tors. theta energy: -85.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1483.221437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.221437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.221437 (E_RNA) where: Base-Base interactions energy: -1010.010 where: short stacking energy: -429.717 Base-Backbone interact. energy: -2.848 local terms energy: -470.363757 where: bonds (distance) C4'-P energy: -91.207 bonds (distance) P-C4' energy: -140.287 flat angles C4'-P-C4' energy: -113.046 flat angles P-C4'-P energy: -76.879 tors. eta vs tors. theta energy: -48.946 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: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2915.072217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.072217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.072217 (E_RNA) where: Base-Base interactions energy: -2054.822 where: short stacking energy: -866.281 Base-Backbone interact. energy: -3.534 local terms energy: -856.716254 where: bonds (distance) C4'-P energy: -171.782 bonds (distance) P-C4' energy: -157.320 flat angles C4'-P-C4' energy: -180.889 flat angles P-C4'-P energy: -125.882 tors. eta vs tors. theta energy: -220.843 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: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2852.000423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.000423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.000423 (E_RNA) where: Base-Base interactions energy: -2015.519 where: short stacking energy: -850.405 Base-Backbone interact. energy: -4.281 local terms energy: -832.200121 where: bonds (distance) C4'-P energy: -161.013 bonds (distance) P-C4' energy: -164.146 flat angles C4'-P-C4' energy: -178.131 flat angles P-C4'-P energy: -101.266 tors. eta vs tors. theta energy: -227.645 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: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2780.394814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.394814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.394814 (E_RNA) where: Base-Base interactions energy: -1991.223 where: short stacking energy: -850.333 Base-Backbone interact. energy: -2.636 local terms energy: -786.535056 where: bonds (distance) C4'-P energy: -136.973 bonds (distance) P-C4' energy: -135.956 flat angles C4'-P-C4' energy: -167.799 flat angles P-C4'-P energy: -117.602 tors. eta vs tors. theta energy: -228.205 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: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2720.666250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.666250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.666250 (E_RNA) where: Base-Base interactions energy: -1916.993 where: short stacking energy: -802.640 Base-Backbone interact. energy: -7.655 local terms energy: -796.018861 where: bonds (distance) C4'-P energy: -133.510 bonds (distance) P-C4' energy: -147.396 flat angles C4'-P-C4' energy: -182.899 flat angles P-C4'-P energy: -117.899 tors. eta vs tors. theta energy: -214.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2522.577407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.577407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.577407 (E_RNA) where: Base-Base interactions energy: -1754.542 where: short stacking energy: -733.224 Base-Backbone interact. energy: -5.825 local terms energy: -762.210739 where: bonds (distance) C4'-P energy: -138.184 bonds (distance) P-C4' energy: -150.267 flat angles C4'-P-C4' energy: -162.473 flat angles P-C4'-P energy: -111.640 tors. eta vs tors. theta energy: -199.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2285.607039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.607039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.607039 (E_RNA) where: Base-Base interactions energy: -1608.504 where: short stacking energy: -690.017 Base-Backbone interact. energy: 1.848 local terms energy: -678.950328 where: bonds (distance) C4'-P energy: -123.403 bonds (distance) P-C4' energy: -126.349 flat angles C4'-P-C4' energy: -161.341 flat angles P-C4'-P energy: -108.782 tors. eta vs tors. theta energy: -159.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2244.121850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.121850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.121850 (E_RNA) where: Base-Base interactions energy: -1588.839 where: short stacking energy: -676.089 Base-Backbone interact. energy: -2.444 local terms energy: -652.838127 where: bonds (distance) C4'-P energy: -129.306 bonds (distance) P-C4' energy: -126.735 flat angles C4'-P-C4' energy: -138.773 flat angles P-C4'-P energy: -93.724 tors. eta vs tors. theta energy: -164.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -2008.700232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.700232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.700232 (E_RNA) where: Base-Base interactions energy: -1404.822 where: short stacking energy: -606.829 Base-Backbone interact. energy: -6.302 local terms energy: -597.576513 where: bonds (distance) C4'-P energy: -121.144 bonds (distance) P-C4' energy: -116.235 flat angles C4'-P-C4' energy: -157.452 flat angles P-C4'-P energy: -79.405 tors. eta vs tors. theta energy: -123.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1662.843436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.843436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.843436 (E_RNA) where: Base-Base interactions energy: -1098.398 where: short stacking energy: -465.090 Base-Backbone interact. energy: -1.316 local terms energy: -563.129568 where: bonds (distance) C4'-P energy: -116.147 bonds (distance) P-C4' energy: -142.520 flat angles C4'-P-C4' energy: -128.068 flat angles P-C4'-P energy: -86.714 tors. eta vs tors. theta energy: -89.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1546.793371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.793371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.793371 (E_RNA) where: Base-Base interactions energy: -1035.733 where: short stacking energy: -447.308 Base-Backbone interact. energy: 5.071 local terms energy: -516.130747 where: bonds (distance) C4'-P energy: -132.759 bonds (distance) P-C4' energy: -123.140 flat angles C4'-P-C4' energy: -132.654 flat angles P-C4'-P energy: -68.618 tors. eta vs tors. theta energy: -58.960 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: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2920.174994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.174994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.174994 (E_RNA) where: Base-Base interactions energy: -2068.634 where: short stacking energy: -887.104 Base-Backbone interact. energy: -6.391 local terms energy: -845.149927 where: bonds (distance) C4'-P energy: -148.779 bonds (distance) P-C4' energy: -158.659 flat angles C4'-P-C4' energy: -174.666 flat angles P-C4'-P energy: -127.690 tors. eta vs tors. theta energy: -235.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2860.993074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.993074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.993074 (E_RNA) where: Base-Base interactions energy: -2025.923 where: short stacking energy: -850.972 Base-Backbone interact. energy: 0.372 local terms energy: -835.442147 where: bonds (distance) C4'-P energy: -129.720 bonds (distance) P-C4' energy: -168.917 flat angles C4'-P-C4' energy: -182.606 flat angles P-C4'-P energy: -130.831 tors. eta vs tors. theta energy: -223.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2767.589006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.589006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.589006 (E_RNA) where: Base-Base interactions energy: -1997.829 where: short stacking energy: -833.943 Base-Backbone interact. energy: -1.209 local terms energy: -768.550379 where: bonds (distance) C4'-P energy: -149.347 bonds (distance) P-C4' energy: -142.183 flat angles C4'-P-C4' energy: -166.678 flat angles P-C4'-P energy: -95.147 tors. eta vs tors. theta energy: -215.195 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: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2646.942562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.942562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.942562 (E_RNA) where: Base-Base interactions energy: -1924.003 where: short stacking energy: -767.831 Base-Backbone interact. energy: -5.634 local terms energy: -717.305540 where: bonds (distance) C4'-P energy: -132.032 bonds (distance) P-C4' energy: -152.491 flat angles C4'-P-C4' energy: -146.715 flat angles P-C4'-P energy: -90.810 tors. eta vs tors. theta energy: -195.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2567.404969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.404969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.404969 (E_RNA) where: Base-Base interactions energy: -1806.272 where: short stacking energy: -777.728 Base-Backbone interact. energy: -4.836 local terms energy: -756.296631 where: bonds (distance) C4'-P energy: -139.219 bonds (distance) P-C4' energy: -149.267 flat angles C4'-P-C4' energy: -168.950 flat angles P-C4'-P energy: -90.084 tors. eta vs tors. theta energy: -208.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2299.915425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.915425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.915425 (E_RNA) where: Base-Base interactions energy: -1623.256 where: short stacking energy: -684.473 Base-Backbone interact. energy: 5.965 local terms energy: -682.624003 where: bonds (distance) C4'-P energy: -130.139 bonds (distance) P-C4' energy: -124.325 flat angles C4'-P-C4' energy: -156.419 flat angles P-C4'-P energy: -100.699 tors. eta vs tors. theta energy: -171.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2186.848229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.848229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.848229 (E_RNA) where: Base-Base interactions energy: -1489.498 where: short stacking energy: -657.741 Base-Backbone interact. energy: 0.787 local terms energy: -698.136287 where: bonds (distance) C4'-P energy: -128.736 bonds (distance) P-C4' energy: -132.102 flat angles C4'-P-C4' energy: -155.821 flat angles P-C4'-P energy: -111.826 tors. eta vs tors. theta energy: -169.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -2064.851204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.851204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.851204 (E_RNA) where: Base-Base interactions energy: -1409.905 where: short stacking energy: -597.190 Base-Backbone interact. energy: -7.187 local terms energy: -647.758836 where: bonds (distance) C4'-P energy: -126.919 bonds (distance) P-C4' energy: -139.679 flat angles C4'-P-C4' energy: -158.423 flat angles P-C4'-P energy: -82.668 tors. eta vs tors. theta energy: -140.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1648.894724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.894724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.894724 (E_RNA) where: Base-Base interactions energy: -1090.105 where: short stacking energy: -463.184 Base-Backbone interact. energy: -4.133 local terms energy: -554.657502 where: bonds (distance) C4'-P energy: -116.773 bonds (distance) P-C4' energy: -120.438 flat angles C4'-P-C4' energy: -143.878 flat angles P-C4'-P energy: -79.826 tors. eta vs tors. theta energy: -93.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1488.452679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.452679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.452679 (E_RNA) where: Base-Base interactions energy: -986.217 where: short stacking energy: -428.573 Base-Backbone interact. energy: 0.939 local terms energy: -503.174335 where: bonds (distance) C4'-P energy: -128.280 bonds (distance) P-C4' energy: -117.061 flat angles C4'-P-C4' energy: -114.393 flat angles P-C4'-P energy: -76.923 tors. eta vs tors. theta energy: -66.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2908.836731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.836731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.836731 (E_RNA) where: Base-Base interactions energy: -2050.761 where: short stacking energy: -857.055 Base-Backbone interact. energy: -3.313 local terms energy: -854.761996 where: bonds (distance) C4'-P energy: -148.306 bonds (distance) P-C4' energy: -158.151 flat angles C4'-P-C4' energy: -189.889 flat angles P-C4'-P energy: -130.154 tors. eta vs tors. theta energy: -228.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2858.396994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.396994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.396994 (E_RNA) where: Base-Base interactions energy: -2021.004 where: short stacking energy: -874.815 Base-Backbone interact. energy: -5.065 local terms energy: -832.327636 where: bonds (distance) C4'-P energy: -143.088 bonds (distance) P-C4' energy: -174.535 flat angles C4'-P-C4' energy: -172.403 flat angles P-C4'-P energy: -115.832 tors. eta vs tors. theta energy: -226.470 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: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2788.073016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.073016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.073016 (E_RNA) where: Base-Base interactions energy: -1983.358 where: short stacking energy: -860.826 Base-Backbone interact. energy: 0.108 local terms energy: -804.822915 where: bonds (distance) C4'-P energy: -146.776 bonds (distance) P-C4' energy: -158.559 flat angles C4'-P-C4' energy: -175.733 flat angles P-C4'-P energy: -101.985 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: 10 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2670.039246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.039246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.039246 (E_RNA) where: Base-Base interactions energy: -1905.414 where: short stacking energy: -761.888 Base-Backbone interact. energy: -0.820 local terms energy: -763.804585 where: bonds (distance) C4'-P energy: -147.186 bonds (distance) P-C4' energy: -151.459 flat angles C4'-P-C4' energy: -169.440 flat angles P-C4'-P energy: -100.061 tors. eta vs tors. theta energy: -195.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2557.583666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.583666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.583666 (E_RNA) where: Base-Base interactions energy: -1809.709 where: short stacking energy: -764.391 Base-Backbone interact. energy: -4.245 local terms energy: -743.629620 where: bonds (distance) C4'-P energy: -141.059 bonds (distance) P-C4' energy: -140.159 flat angles C4'-P-C4' energy: -156.317 flat angles P-C4'-P energy: -92.264 tors. eta vs tors. theta energy: -213.832 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: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2320.364196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.364196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.364196 (E_RNA) where: Base-Base interactions energy: -1609.634 where: short stacking energy: -691.624 Base-Backbone interact. energy: -0.944 local terms energy: -709.785735 where: bonds (distance) C4'-P energy: -140.807 bonds (distance) P-C4' energy: -124.810 flat angles C4'-P-C4' energy: -160.974 flat angles P-C4'-P energy: -105.646 tors. eta vs tors. theta energy: -177.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2205.294215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.294215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.294215 (E_RNA) where: Base-Base interactions energy: -1541.289 where: short stacking energy: -659.208 Base-Backbone interact. energy: -1.753 local terms energy: -662.252692 where: bonds (distance) C4'-P energy: -122.945 bonds (distance) P-C4' energy: -132.309 flat angles C4'-P-C4' energy: -145.191 flat angles P-C4'-P energy: -106.624 tors. eta vs tors. theta energy: -155.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -2081.537526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.537526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.537526 (E_RNA) where: Base-Base interactions energy: -1487.163 where: short stacking energy: -635.271 Base-Backbone interact. energy: 4.371 local terms energy: -598.745704 where: bonds (distance) C4'-P energy: -126.860 bonds (distance) P-C4' energy: -104.713 flat angles C4'-P-C4' energy: -140.799 flat angles P-C4'-P energy: -84.365 tors. eta vs tors. theta energy: -142.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1648.229409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.229409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.229409 (E_RNA) where: Base-Base interactions energy: -1113.653 where: short stacking energy: -488.640 Base-Backbone interact. energy: -2.861 local terms energy: -531.716023 where: bonds (distance) C4'-P energy: -124.822 bonds (distance) P-C4' energy: -123.290 flat angles C4'-P-C4' energy: -107.329 flat angles P-C4'-P energy: -89.751 tors. eta vs tors. theta energy: -86.524 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: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1532.404066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.404066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.404066 (E_RNA) where: Base-Base interactions energy: -993.639 where: short stacking energy: -461.594 Base-Backbone interact. energy: 1.654 local terms energy: -540.418929 where: bonds (distance) C4'-P energy: -131.590 bonds (distance) P-C4' energy: -105.185 flat angles C4'-P-C4' energy: -155.245 flat angles P-C4'-P energy: -68.437 tors. eta vs tors. theta energy: -79.962 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: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2901.547070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.547070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.547070 (E_RNA) where: Base-Base interactions energy: -2046.350 where: short stacking energy: -867.984 Base-Backbone interact. energy: -4.010 local terms energy: -851.186451 where: bonds (distance) C4'-P energy: -151.982 bonds (distance) P-C4' energy: -155.351 flat angles C4'-P-C4' energy: -179.530 flat angles P-C4'-P energy: -132.504 tors. eta vs tors. theta energy: -231.819 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: 2, replica: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2853.079634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.079634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.079634 (E_RNA) where: Base-Base interactions energy: -2003.617 where: short stacking energy: -860.170 Base-Backbone interact. energy: -6.461 local terms energy: -843.001979 where: bonds (distance) C4'-P energy: -154.402 bonds (distance) P-C4' energy: -161.569 flat angles C4'-P-C4' energy: -183.385 flat angles P-C4'-P energy: -110.788 tors. eta vs tors. theta energy: -232.858 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: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2781.651277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.651277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.651277 (E_RNA) where: Base-Base interactions energy: -1988.471 where: short stacking energy: -825.115 Base-Backbone interact. energy: -5.065 local terms energy: -788.115214 where: bonds (distance) C4'-P energy: -133.460 bonds (distance) P-C4' energy: -149.216 flat angles C4'-P-C4' energy: -175.336 flat angles P-C4'-P energy: -107.372 tors. eta vs tors. theta energy: -222.731 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: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2657.940267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.940267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.940267 (E_RNA) where: Base-Base interactions energy: -1898.378 where: short stacking energy: -766.002 Base-Backbone interact. energy: -0.227 local terms energy: -759.335024 where: bonds (distance) C4'-P energy: -155.755 bonds (distance) P-C4' energy: -138.854 flat angles C4'-P-C4' energy: -163.141 flat angles P-C4'-P energy: -105.666 tors. eta vs tors. theta energy: -195.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2591.533075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.533075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.533075 (E_RNA) where: Base-Base interactions energy: -1854.726 where: short stacking energy: -816.757 Base-Backbone interact. energy: -3.497 local terms energy: -733.309716 where: bonds (distance) C4'-P energy: -131.798 bonds (distance) P-C4' energy: -142.520 flat angles C4'-P-C4' energy: -168.448 flat angles P-C4'-P energy: -84.546 tors. eta vs tors. theta energy: -205.998 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: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2375.476942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.476942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.476942 (E_RNA) where: Base-Base interactions energy: -1624.579 where: short stacking energy: -734.754 Base-Backbone interact. energy: -3.042 local terms energy: -747.855618 where: bonds (distance) C4'-P energy: -146.692 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -155.653 flat angles P-C4'-P energy: -114.606 tors. eta vs tors. theta energy: -195.762 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: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2214.337495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.337495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.337495 (E_RNA) where: Base-Base interactions energy: -1539.937 where: short stacking energy: -636.623 Base-Backbone interact. energy: 1.053 local terms energy: -675.453020 where: bonds (distance) C4'-P energy: -106.320 bonds (distance) P-C4' energy: -132.224 flat angles C4'-P-C4' energy: -160.241 flat angles P-C4'-P energy: -106.234 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: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -2121.810570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.810570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.810570 (E_RNA) where: Base-Base interactions energy: -1489.168 where: short stacking energy: -638.244 Base-Backbone interact. energy: -2.276 local terms energy: -630.366338 where: bonds (distance) C4'-P energy: -136.129 bonds (distance) P-C4' energy: -141.937 flat angles C4'-P-C4' energy: -136.747 flat angles P-C4'-P energy: -96.132 tors. eta vs tors. theta energy: -119.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1575.278182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.278182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.278182 (E_RNA) where: Base-Base interactions energy: -1031.623 where: short stacking energy: -462.801 Base-Backbone interact. energy: 2.149 local terms energy: -545.803580 where: bonds (distance) C4'-P energy: -132.914 bonds (distance) P-C4' energy: -114.255 flat angles C4'-P-C4' energy: -125.456 flat angles P-C4'-P energy: -79.119 tors. eta vs tors. theta energy: -94.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1454.628512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.628512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.628512 (E_RNA) where: Base-Base interactions energy: -925.457 where: short stacking energy: -423.001 Base-Backbone interact. energy: -0.262 local terms energy: -528.909412 where: bonds (distance) C4'-P energy: -120.417 bonds (distance) P-C4' energy: -128.419 flat angles C4'-P-C4' energy: -123.582 flat angles P-C4'-P energy: -95.377 tors. eta vs tors. theta energy: -61.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2910.178325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.178325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.178325 (E_RNA) where: Base-Base interactions energy: -2059.815 where: short stacking energy: -852.756 Base-Backbone interact. energy: -1.889 local terms energy: -848.474595 where: bonds (distance) C4'-P energy: -157.314 bonds (distance) P-C4' energy: -159.179 flat angles C4'-P-C4' energy: -175.772 flat angles P-C4'-P energy: -125.033 tors. eta vs tors. theta energy: -231.176 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: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2878.746582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.746582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.746582 (E_RNA) where: Base-Base interactions energy: -2023.768 where: short stacking energy: -853.571 Base-Backbone interact. energy: -5.710 local terms energy: -849.268721 where: bonds (distance) C4'-P energy: -164.759 bonds (distance) P-C4' energy: -159.405 flat angles C4'-P-C4' energy: -163.301 flat angles P-C4'-P energy: -128.602 tors. eta vs tors. theta energy: -233.202 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: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2771.440721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.440721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.440721 (E_RNA) where: Base-Base interactions energy: -1961.984 where: short stacking energy: -855.773 Base-Backbone interact. energy: -2.139 local terms energy: -807.317751 where: bonds (distance) C4'-P energy: -149.884 bonds (distance) P-C4' energy: -155.529 flat angles C4'-P-C4' energy: -175.185 flat angles P-C4'-P energy: -108.684 tors. eta vs tors. theta energy: -218.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2650.881732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.881732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.881732 (E_RNA) where: Base-Base interactions energy: -1865.969 where: short stacking energy: -768.025 Base-Backbone interact. energy: -2.801 local terms energy: -782.112438 where: bonds (distance) C4'-P energy: -140.965 bonds (distance) P-C4' energy: -159.821 flat angles C4'-P-C4' energy: -171.941 flat angles P-C4'-P energy: -120.057 tors. eta vs tors. theta energy: -189.327 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: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2588.663581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.663581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.663581 (E_RNA) where: Base-Base interactions energy: -1803.632 where: short stacking energy: -760.840 Base-Backbone interact. energy: -3.678 local terms energy: -781.353580 where: bonds (distance) C4'-P energy: -142.692 bonds (distance) P-C4' energy: -149.217 flat angles C4'-P-C4' energy: -176.998 flat angles P-C4'-P energy: -106.397 tors. eta vs tors. theta energy: -206.050 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: 176 Temperature: 1.150000 Total energy: -2358.272219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.272219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.272219 (E_RNA) where: Base-Base interactions energy: -1616.135 where: short stacking energy: -706.519 Base-Backbone interact. energy: -1.329 local terms energy: -740.808006 where: bonds (distance) C4'-P energy: -123.254 bonds (distance) P-C4' energy: -139.880 flat angles C4'-P-C4' energy: -169.129 flat angles P-C4'-P energy: -127.482 tors. eta vs tors. theta energy: -181.063 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: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2282.095557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.095557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.095557 (E_RNA) where: Base-Base interactions energy: -1610.626 where: short stacking energy: -696.603 Base-Backbone interact. energy: -1.336 local terms energy: -670.134155 where: bonds (distance) C4'-P energy: -123.470 bonds (distance) P-C4' energy: -118.298 flat angles C4'-P-C4' energy: -159.285 flat angles P-C4'-P energy: -96.777 tors. eta vs tors. theta energy: -172.304 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: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -2106.978637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.978637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.978637 (E_RNA) where: Base-Base interactions energy: -1484.455 where: short stacking energy: -636.585 Base-Backbone interact. energy: -1.865 local terms energy: -620.658670 where: bonds (distance) C4'-P energy: -120.955 bonds (distance) P-C4' energy: -129.937 flat angles C4'-P-C4' energy: -140.984 flat angles P-C4'-P energy: -78.890 tors. eta vs tors. theta energy: -149.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1598.589565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.589565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.589565 (E_RNA) where: Base-Base interactions energy: -1062.182 where: short stacking energy: -488.154 Base-Backbone interact. energy: 1.588 local terms energy: -537.994787 where: bonds (distance) C4'-P energy: -121.252 bonds (distance) P-C4' energy: -138.492 flat angles C4'-P-C4' energy: -131.971 flat angles P-C4'-P energy: -70.425 tors. eta vs tors. theta energy: -75.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1464.198917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.198917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.198917 (E_RNA) where: Base-Base interactions energy: -916.118 where: short stacking energy: -408.618 Base-Backbone interact. energy: -1.296 local terms energy: -546.785167 where: bonds (distance) C4'-P energy: -129.821 bonds (distance) P-C4' energy: -152.483 flat angles C4'-P-C4' energy: -115.556 flat angles P-C4'-P energy: -75.317 tors. eta vs tors. theta energy: -73.608 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: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2940.916925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.916925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.916925 (E_RNA) where: Base-Base interactions energy: -2099.362 where: short stacking energy: -888.995 Base-Backbone interact. energy: 6.958 local terms energy: -848.512525 where: bonds (distance) C4'-P energy: -171.144 bonds (distance) P-C4' energy: -157.260 flat angles C4'-P-C4' energy: -178.156 flat angles P-C4'-P energy: -110.780 tors. eta vs tors. theta energy: -231.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2852.796312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.796312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.796312 (E_RNA) where: Base-Base interactions energy: -2019.725 where: short stacking energy: -851.810 Base-Backbone interact. energy: -6.725 local terms energy: -826.346423 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -143.745 flat angles C4'-P-C4' energy: -186.428 flat angles P-C4'-P energy: -111.460 tors. eta vs tors. theta energy: -235.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2751.628239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.628239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.628239 (E_RNA) where: Base-Base interactions energy: -1941.542 where: short stacking energy: -840.419 Base-Backbone interact. energy: 1.655 local terms energy: -811.741775 where: bonds (distance) C4'-P energy: -163.732 bonds (distance) P-C4' energy: -152.905 flat angles C4'-P-C4' energy: -165.012 flat angles P-C4'-P energy: -114.118 tors. eta vs tors. theta energy: -215.976 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: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2668.219920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.219920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.219920 (E_RNA) where: Base-Base interactions energy: -1868.945 where: short stacking energy: -784.583 Base-Backbone interact. energy: -0.442 local terms energy: -798.832642 where: bonds (distance) C4'-P energy: -143.981 bonds (distance) P-C4' energy: -167.905 flat angles C4'-P-C4' energy: -166.103 flat angles P-C4'-P energy: -116.006 tors. eta vs tors. theta energy: -204.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2563.918435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.918435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.918435 (E_RNA) where: Base-Base interactions energy: -1807.952 where: short stacking energy: -740.206 Base-Backbone interact. energy: -5.216 local terms energy: -750.750539 where: bonds (distance) C4'-P energy: -131.507 bonds (distance) P-C4' energy: -141.765 flat angles C4'-P-C4' energy: -168.580 flat angles P-C4'-P energy: -115.822 tors. eta vs tors. theta energy: -193.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2360.459757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.459757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.459757 (E_RNA) where: Base-Base interactions energy: -1637.367 where: short stacking energy: -709.935 Base-Backbone interact. energy: -0.064 local terms energy: -723.028397 where: bonds (distance) C4'-P energy: -141.504 bonds (distance) P-C4' energy: -135.234 flat angles C4'-P-C4' energy: -165.245 flat angles P-C4'-P energy: -102.445 tors. eta vs tors. theta energy: -178.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2100.233780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.233780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.233780 (E_RNA) where: Base-Base interactions energy: -1441.849 where: short stacking energy: -630.694 Base-Backbone interact. energy: -0.176 local terms energy: -658.208416 where: bonds (distance) C4'-P energy: -134.898 bonds (distance) P-C4' energy: -131.218 flat angles C4'-P-C4' energy: -144.331 flat angles P-C4'-P energy: -99.156 tors. eta vs tors. theta energy: -148.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -2097.432681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.432681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.432681 (E_RNA) where: Base-Base interactions energy: -1471.993 where: short stacking energy: -629.050 Base-Backbone interact. energy: -0.897 local terms energy: -624.541872 where: bonds (distance) C4'-P energy: -123.632 bonds (distance) P-C4' energy: -119.688 flat angles C4'-P-C4' energy: -143.507 flat angles P-C4'-P energy: -94.648 tors. eta vs tors. theta energy: -143.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1584.438438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.438438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.438438 (E_RNA) where: Base-Base interactions energy: -1048.940 where: short stacking energy: -503.301 Base-Backbone interact. energy: -2.584 local terms energy: -532.914416 where: bonds (distance) C4'-P energy: -96.993 bonds (distance) P-C4' energy: -144.701 flat angles C4'-P-C4' energy: -132.772 flat angles P-C4'-P energy: -74.157 tors. eta vs tors. theta energy: -84.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1462.304052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.304052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.304052 (E_RNA) where: Base-Base interactions energy: -969.752 where: short stacking energy: -439.222 Base-Backbone interact. energy: -2.156 local terms energy: -490.395997 where: bonds (distance) C4'-P energy: -101.230 bonds (distance) P-C4' energy: -105.425 flat angles C4'-P-C4' energy: -118.686 flat angles P-C4'-P energy: -84.678 tors. eta vs tors. theta energy: -80.377 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: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2937.465197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.465197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.465197 (E_RNA) where: Base-Base interactions energy: -2051.984 where: short stacking energy: -847.943 Base-Backbone interact. energy: -5.996 local terms energy: -879.484757 where: bonds (distance) C4'-P energy: -175.766 bonds (distance) P-C4' energy: -158.097 flat angles C4'-P-C4' energy: -187.676 flat angles P-C4'-P energy: -127.721 tors. eta vs tors. theta energy: -230.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2871.471215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.471215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.471215 (E_RNA) where: Base-Base interactions energy: -2024.952 where: short stacking energy: -873.157 Base-Backbone interact. energy: -1.589 local terms energy: -844.929884 where: bonds (distance) C4'-P energy: -156.754 bonds (distance) P-C4' energy: -151.792 flat angles C4'-P-C4' energy: -177.736 flat angles P-C4'-P energy: -129.234 tors. eta vs tors. theta energy: -229.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2718.596539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.596539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.596539 (E_RNA) where: Base-Base interactions energy: -1915.815 where: short stacking energy: -842.140 Base-Backbone interact. energy: 0.247 local terms energy: -803.028330 where: bonds (distance) C4'-P energy: -136.104 bonds (distance) P-C4' energy: -141.512 flat angles C4'-P-C4' energy: -184.187 flat angles P-C4'-P energy: -110.523 tors. eta vs tors. theta energy: -230.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2682.752210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.752210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.752210 (E_RNA) where: Base-Base interactions energy: -1886.102 where: short stacking energy: -785.721 Base-Backbone interact. energy: -4.853 local terms energy: -791.796472 where: bonds (distance) C4'-P energy: -150.375 bonds (distance) P-C4' energy: -148.990 flat angles C4'-P-C4' energy: -177.862 flat angles P-C4'-P energy: -110.040 tors. eta vs tors. theta energy: -204.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2588.299200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.299200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.299200 (E_RNA) where: Base-Base interactions energy: -1826.646 where: short stacking energy: -786.314 Base-Backbone interact. energy: -1.177 local terms energy: -760.475583 where: bonds (distance) C4'-P energy: -125.662 bonds (distance) P-C4' energy: -147.380 flat angles C4'-P-C4' energy: -166.980 flat angles P-C4'-P energy: -106.414 tors. eta vs tors. theta energy: -214.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2375.362795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.362795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.362795 (E_RNA) where: Base-Base interactions energy: -1661.579 where: short stacking energy: -713.098 Base-Backbone interact. energy: -1.424 local terms energy: -712.359049 where: bonds (distance) C4'-P energy: -143.004 bonds (distance) P-C4' energy: -124.108 flat angles C4'-P-C4' energy: -155.754 flat angles P-C4'-P energy: -105.328 tors. eta vs tors. theta energy: -184.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2153.325190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.325190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.325190 (E_RNA) where: Base-Base interactions energy: -1507.469 where: short stacking energy: -632.132 Base-Backbone interact. energy: -4.417 local terms energy: -641.439383 where: bonds (distance) C4'-P energy: -132.959 bonds (distance) P-C4' energy: -119.738 flat angles C4'-P-C4' energy: -147.543 flat angles P-C4'-P energy: -87.808 tors. eta vs tors. theta energy: -153.391 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: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -2049.262793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.262793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.262793 (E_RNA) where: Base-Base interactions energy: -1409.057 where: short stacking energy: -604.749 Base-Backbone interact. energy: 5.594 local terms energy: -645.799498 where: bonds (distance) C4'-P energy: -159.749 bonds (distance) P-C4' energy: -126.783 flat angles C4'-P-C4' energy: -153.933 flat angles P-C4'-P energy: -75.891 tors. eta vs tors. theta energy: -129.445 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: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1547.062469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.062469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.062469 (E_RNA) where: Base-Base interactions energy: -1012.893 where: short stacking energy: -478.033 Base-Backbone interact. energy: 4.364 local terms energy: -538.533652 where: bonds (distance) C4'-P energy: -114.389 bonds (distance) P-C4' energy: -127.218 flat angles C4'-P-C4' energy: -133.802 flat angles P-C4'-P energy: -87.833 tors. eta vs tors. theta energy: -75.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1367.151311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.151311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.151311 (E_RNA) where: Base-Base interactions energy: -875.623 where: short stacking energy: -419.684 Base-Backbone interact. energy: -1.178 local terms energy: -490.350292 where: bonds (distance) C4'-P energy: -110.009 bonds (distance) P-C4' energy: -133.743 flat angles C4'-P-C4' energy: -113.541 flat angles P-C4'-P energy: -64.568 tors. eta vs tors. theta energy: -68.489 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: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2923.730231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.730231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.730231 (E_RNA) where: Base-Base interactions energy: -2044.716 where: short stacking energy: -852.643 Base-Backbone interact. energy: -1.511 local terms energy: -877.503086 where: bonds (distance) C4'-P energy: -167.636 bonds (distance) P-C4' energy: -172.981 flat angles C4'-P-C4' energy: -185.793 flat angles P-C4'-P energy: -129.029 tors. eta vs tors. theta energy: -222.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2832.877263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.877263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.877263 (E_RNA) where: Base-Base interactions energy: -2011.679 where: short stacking energy: -879.099 Base-Backbone interact. energy: -4.458 local terms energy: -816.739806 where: bonds (distance) C4'-P energy: -143.504 bonds (distance) P-C4' energy: -147.977 flat angles C4'-P-C4' energy: -192.792 flat angles P-C4'-P energy: -111.014 tors. eta vs tors. theta energy: -221.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2719.659979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.659979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.659979 (E_RNA) where: Base-Base interactions energy: -1898.500 where: short stacking energy: -822.901 Base-Backbone interact. energy: -3.737 local terms energy: -817.422132 where: bonds (distance) C4'-P energy: -131.877 bonds (distance) P-C4' energy: -160.132 flat angles C4'-P-C4' energy: -180.893 flat angles P-C4'-P energy: -123.491 tors. eta vs tors. theta energy: -221.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2665.279673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.279673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.279673 (E_RNA) where: Base-Base interactions energy: -1894.459 where: short stacking energy: -774.242 Base-Backbone interact. energy: 0.781 local terms energy: -771.601515 where: bonds (distance) C4'-P energy: -127.621 bonds (distance) P-C4' energy: -159.870 flat angles C4'-P-C4' energy: -173.967 flat angles P-C4'-P energy: -116.293 tors. eta vs tors. theta energy: -193.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2553.014726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.014726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.014726 (E_RNA) where: Base-Base interactions energy: -1783.451 where: short stacking energy: -753.203 Base-Backbone interact. energy: -1.851 local terms energy: -767.712623 where: bonds (distance) C4'-P energy: -150.411 bonds (distance) P-C4' energy: -146.758 flat angles C4'-P-C4' energy: -167.956 flat angles P-C4'-P energy: -106.960 tors. eta vs tors. theta energy: -195.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2371.510129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.510129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.510129 (E_RNA) where: Base-Base interactions energy: -1670.899 where: short stacking energy: -734.135 Base-Backbone interact. energy: -1.593 local terms energy: -699.018630 where: bonds (distance) C4'-P energy: -136.105 bonds (distance) P-C4' energy: -128.988 flat angles C4'-P-C4' energy: -160.922 flat angles P-C4'-P energy: -93.884 tors. eta vs tors. theta energy: -179.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2134.465143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.465143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.465143 (E_RNA) where: Base-Base interactions energy: -1485.207 where: short stacking energy: -619.458 Base-Backbone interact. energy: 6.053 local terms energy: -655.311018 where: bonds (distance) C4'-P energy: -148.542 bonds (distance) P-C4' energy: -135.185 flat angles C4'-P-C4' energy: -141.958 flat angles P-C4'-P energy: -95.673 tors. eta vs tors. theta energy: -133.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -2014.477510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.477510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.477510 (E_RNA) where: Base-Base interactions energy: -1395.830 where: short stacking energy: -563.245 Base-Backbone interact. energy: -1.916 local terms energy: -616.731489 where: bonds (distance) C4'-P energy: -105.470 bonds (distance) P-C4' energy: -138.799 flat angles C4'-P-C4' energy: -141.299 flat angles P-C4'-P energy: -98.878 tors. eta vs tors. theta energy: -132.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1548.406832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.406832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.406832 (E_RNA) where: Base-Base interactions energy: -1016.000 where: short stacking energy: -491.688 Base-Backbone interact. energy: -1.819 local terms energy: -530.587596 where: bonds (distance) C4'-P energy: -114.506 bonds (distance) P-C4' energy: -125.068 flat angles C4'-P-C4' energy: -140.297 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: -81.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1256.619317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.619317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.619317 (E_RNA) where: Base-Base interactions energy: -800.946 where: short stacking energy: -355.585 Base-Backbone interact. energy: -3.367 local terms energy: -452.306492 where: bonds (distance) C4'-P energy: -113.470 bonds (distance) P-C4' energy: -121.226 flat angles C4'-P-C4' energy: -113.604 flat angles P-C4'-P energy: -69.021 tors. eta vs tors. theta energy: -34.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2943.188381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.188381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.188381 (E_RNA) where: Base-Base interactions energy: -2074.109 where: short stacking energy: -872.993 Base-Backbone interact. energy: -6.760 local terms energy: -862.319391 where: bonds (distance) C4'-P energy: -145.850 bonds (distance) P-C4' energy: -175.060 flat angles C4'-P-C4' energy: -180.612 flat angles P-C4'-P energy: -129.523 tors. eta vs tors. theta energy: -231.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2872.144747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.144747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.144747 (E_RNA) where: Base-Base interactions energy: -2019.313 where: short stacking energy: -870.461 Base-Backbone interact. energy: -3.378 local terms energy: -849.454146 where: bonds (distance) C4'-P energy: -144.891 bonds (distance) P-C4' energy: -151.599 flat angles C4'-P-C4' energy: -182.385 flat angles P-C4'-P energy: -132.046 tors. eta vs tors. theta energy: -238.533 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: 5 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2743.688787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.688787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.688787 (E_RNA) where: Base-Base interactions energy: -1951.613 where: short stacking energy: -847.240 Base-Backbone interact. energy: 3.227 local terms energy: -795.302304 where: bonds (distance) C4'-P energy: -148.866 bonds (distance) P-C4' energy: -155.495 flat angles C4'-P-C4' energy: -170.656 flat angles P-C4'-P energy: -99.393 tors. eta vs tors. theta energy: -220.892 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: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2682.350975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.350975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.350975 (E_RNA) where: Base-Base interactions energy: -1929.468 where: short stacking energy: -815.851 Base-Backbone interact. energy: -1.614 local terms energy: -751.268521 where: bonds (distance) C4'-P energy: -134.937 bonds (distance) P-C4' energy: -144.834 flat angles C4'-P-C4' energy: -166.386 flat angles P-C4'-P energy: -104.353 tors. eta vs tors. theta energy: -200.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2603.739057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.739057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.739057 (E_RNA) where: Base-Base interactions energy: -1846.156 where: short stacking energy: -808.059 Base-Backbone interact. energy: -0.621 local terms energy: -756.961408 where: bonds (distance) C4'-P energy: -127.615 bonds (distance) P-C4' energy: -157.289 flat angles C4'-P-C4' energy: -173.766 flat angles P-C4'-P energy: -102.396 tors. eta vs tors. theta energy: -195.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2365.131787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.131787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.131787 (E_RNA) where: Base-Base interactions energy: -1664.176 where: short stacking energy: -712.993 Base-Backbone interact. energy: 0.023 local terms energy: -700.979180 where: bonds (distance) C4'-P energy: -131.943 bonds (distance) P-C4' energy: -136.907 flat angles C4'-P-C4' energy: -166.379 flat angles P-C4'-P energy: -88.892 tors. eta vs tors. theta energy: -176.859 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: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2193.878688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.878688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.878688 (E_RNA) where: Base-Base interactions energy: -1543.161 where: short stacking energy: -654.637 Base-Backbone interact. energy: -3.645 local terms energy: -647.073028 where: bonds (distance) C4'-P energy: -123.968 bonds (distance) P-C4' energy: -118.126 flat angles C4'-P-C4' energy: -150.373 flat angles P-C4'-P energy: -90.697 tors. eta vs tors. theta energy: -163.909 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: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -2037.224941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.224941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.224941 (E_RNA) where: Base-Base interactions energy: -1413.873 where: short stacking energy: -625.475 Base-Backbone interact. energy: -2.166 local terms energy: -621.186656 where: bonds (distance) C4'-P energy: -129.749 bonds (distance) P-C4' energy: -133.065 flat angles C4'-P-C4' energy: -153.655 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: -135.887 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: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1475.919168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.919168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.919168 (E_RNA) where: Base-Base interactions energy: -944.363 where: short stacking energy: -418.612 Base-Backbone interact. energy: -2.183 local terms energy: -529.372846 where: bonds (distance) C4'-P energy: -140.571 bonds (distance) P-C4' energy: -137.172 flat angles C4'-P-C4' energy: -116.614 flat angles P-C4'-P energy: -75.558 tors. eta vs tors. theta energy: -59.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1280.217561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.217561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.217561 (E_RNA) where: Base-Base interactions energy: -811.914 where: short stacking energy: -385.707 Base-Backbone interact. energy: -1.169 local terms energy: -467.134196 where: bonds (distance) C4'-P energy: -132.028 bonds (distance) P-C4' energy: -136.267 flat angles C4'-P-C4' energy: -98.286 flat angles P-C4'-P energy: -58.061 tors. eta vs tors. theta energy: -42.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2928.248415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.248415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.248415 (E_RNA) where: Base-Base interactions energy: -2069.341 where: short stacking energy: -870.687 Base-Backbone interact. energy: 0.211 local terms energy: -859.118680 where: bonds (distance) C4'-P energy: -155.106 bonds (distance) P-C4' energy: -179.268 flat angles C4'-P-C4' energy: -175.185 flat angles P-C4'-P energy: -125.979 tors. eta vs tors. theta energy: -223.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2836.199802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.199802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.199802 (E_RNA) where: Base-Base interactions energy: -1977.905 where: short stacking energy: -840.039 Base-Backbone interact. energy: -3.750 local terms energy: -854.544805 where: bonds (distance) C4'-P energy: -160.110 bonds (distance) P-C4' energy: -164.181 flat angles C4'-P-C4' energy: -183.897 flat angles P-C4'-P energy: -115.745 tors. eta vs tors. theta energy: -230.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2803.556723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.556723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.556723 (E_RNA) where: Base-Base interactions energy: -1976.409 where: short stacking energy: -844.903 Base-Backbone interact. energy: -5.244 local terms energy: -821.904521 where: bonds (distance) C4'-P energy: -152.087 bonds (distance) P-C4' energy: -155.965 flat angles C4'-P-C4' energy: -162.165 flat angles P-C4'-P energy: -118.228 tors. eta vs tors. theta energy: -233.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2649.972726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.972726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.972726 (E_RNA) where: Base-Base interactions energy: -1860.017 where: short stacking energy: -768.613 Base-Backbone interact. energy: -3.690 local terms energy: -786.265788 where: bonds (distance) C4'-P energy: -149.427 bonds (distance) P-C4' energy: -156.305 flat angles C4'-P-C4' energy: -176.403 flat angles P-C4'-P energy: -103.970 tors. eta vs tors. theta energy: -200.161 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: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2529.829644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.829644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.829644 (E_RNA) where: Base-Base interactions energy: -1810.919 where: short stacking energy: -776.264 Base-Backbone interact. energy: -5.299 local terms energy: -713.611328 where: bonds (distance) C4'-P energy: -125.544 bonds (distance) P-C4' energy: -141.935 flat angles C4'-P-C4' energy: -158.601 flat angles P-C4'-P energy: -100.524 tors. eta vs tors. theta energy: -187.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2341.680296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.680296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.680296 (E_RNA) where: Base-Base interactions energy: -1636.109 where: short stacking energy: -664.096 Base-Backbone interact. energy: -2.063 local terms energy: -703.508028 where: bonds (distance) C4'-P energy: -146.804 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -157.566 flat angles P-C4'-P energy: -89.705 tors. eta vs tors. theta energy: -169.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2220.203262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.203262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.203262 (E_RNA) where: Base-Base interactions energy: -1534.076 where: short stacking energy: -656.322 Base-Backbone interact. energy: -1.411 local terms energy: -684.716609 where: bonds (distance) C4'-P energy: -122.611 bonds (distance) P-C4' energy: -150.285 flat angles C4'-P-C4' energy: -153.189 flat angles P-C4'-P energy: -107.608 tors. eta vs tors. theta energy: -151.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1981.933176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.933176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.933176 (E_RNA) where: Base-Base interactions energy: -1295.937 where: short stacking energy: -579.254 Base-Backbone interact. energy: -6.237 local terms energy: -679.758432 where: bonds (distance) C4'-P energy: -130.533 bonds (distance) P-C4' energy: -133.746 flat angles C4'-P-C4' energy: -162.287 flat angles P-C4'-P energy: -100.327 tors. eta vs tors. theta energy: -152.866 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: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1395.009749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.009749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.009749 (E_RNA) where: Base-Base interactions energy: -880.611 where: short stacking energy: -421.266 Base-Backbone interact. energy: -1.353 local terms energy: -513.045705 where: bonds (distance) C4'-P energy: -119.466 bonds (distance) P-C4' energy: -129.174 flat angles C4'-P-C4' energy: -116.115 flat angles P-C4'-P energy: -77.944 tors. eta vs tors. theta energy: -70.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1367.461790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.461790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.461790 (E_RNA) where: Base-Base interactions energy: -875.404 where: short stacking energy: -439.155 Base-Backbone interact. energy: 1.793 local terms energy: -493.850632 where: bonds (distance) C4'-P energy: -98.217 bonds (distance) P-C4' energy: -113.494 flat angles C4'-P-C4' energy: -133.876 flat angles P-C4'-P energy: -80.711 tors. eta vs tors. theta energy: -67.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2939.168363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.168363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.168363 (E_RNA) where: Base-Base interactions energy: -2077.107 where: short stacking energy: -892.728 Base-Backbone interact. energy: 2.596 local terms energy: -864.656418 where: bonds (distance) C4'-P energy: -162.890 bonds (distance) P-C4' energy: -165.117 flat angles C4'-P-C4' energy: -178.014 flat angles P-C4'-P energy: -127.778 tors. eta vs tors. theta energy: -230.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2865.394666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.394666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.394666 (E_RNA) where: Base-Base interactions energy: -2042.076 where: short stacking energy: -855.515 Base-Backbone interact. energy: -3.675 local terms energy: -819.643449 where: bonds (distance) C4'-P energy: -159.139 bonds (distance) P-C4' energy: -145.772 flat angles C4'-P-C4' energy: -178.710 flat angles P-C4'-P energy: -107.783 tors. eta vs tors. theta energy: -228.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2811.487293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.487293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.487293 (E_RNA) where: Base-Base interactions energy: -1940.959 where: short stacking energy: -875.562 Base-Backbone interact. energy: -0.741 local terms energy: -869.788074 where: bonds (distance) C4'-P energy: -146.741 bonds (distance) P-C4' energy: -161.140 flat angles C4'-P-C4' energy: -180.343 flat angles P-C4'-P energy: -139.063 tors. eta vs tors. theta energy: -242.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2667.719433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.719433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.719433 (E_RNA) where: Base-Base interactions energy: -1908.927 where: short stacking energy: -796.639 Base-Backbone interact. energy: -2.334 local terms energy: -756.458233 where: bonds (distance) C4'-P energy: -144.839 bonds (distance) P-C4' energy: -133.284 flat angles C4'-P-C4' energy: -161.983 flat angles P-C4'-P energy: -105.575 tors. eta vs tors. theta energy: -210.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2557.046662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.046662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.046662 (E_RNA) where: Base-Base interactions energy: -1810.797 where: short stacking energy: -782.353 Base-Backbone interact. energy: -0.277 local terms energy: -745.972632 where: bonds (distance) C4'-P energy: -147.491 bonds (distance) P-C4' energy: -134.673 flat angles C4'-P-C4' energy: -176.874 flat angles P-C4'-P energy: -89.785 tors. eta vs tors. theta energy: -197.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2363.037534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.037534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.037534 (E_RNA) where: Base-Base interactions energy: -1665.306 where: short stacking energy: -694.515 Base-Backbone interact. energy: -2.684 local terms energy: -695.046703 where: bonds (distance) C4'-P energy: -118.459 bonds (distance) P-C4' energy: -141.585 flat angles C4'-P-C4' energy: -150.282 flat angles P-C4'-P energy: -111.228 tors. eta vs tors. theta energy: -173.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2152.322365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.322365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.322365 (E_RNA) where: Base-Base interactions energy: -1496.539 where: short stacking energy: -639.884 Base-Backbone interact. energy: -0.788 local terms energy: -654.995683 where: bonds (distance) C4'-P energy: -135.118 bonds (distance) P-C4' energy: -128.673 flat angles C4'-P-C4' energy: -154.680 flat angles P-C4'-P energy: -85.765 tors. eta vs tors. theta energy: -150.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1961.197227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.197227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.197227 (E_RNA) where: Base-Base interactions energy: -1325.074 where: short stacking energy: -579.379 Base-Backbone interact. energy: -6.242 local terms energy: -629.881342 where: bonds (distance) C4'-P energy: -143.854 bonds (distance) P-C4' energy: -130.075 flat angles C4'-P-C4' energy: -135.175 flat angles P-C4'-P energy: -92.984 tors. eta vs tors. theta energy: -127.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1442.459456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.459456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.459456 (E_RNA) where: Base-Base interactions energy: -941.174 where: short stacking energy: -430.846 Base-Backbone interact. energy: 1.829 local terms energy: -503.114263 where: bonds (distance) C4'-P energy: -124.606 bonds (distance) P-C4' energy: -125.806 flat angles C4'-P-C4' energy: -129.325 flat angles P-C4'-P energy: -52.408 tors. eta vs tors. theta energy: -70.969 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: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1394.509731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.509731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.509731 (E_RNA) where: Base-Base interactions energy: -883.855 where: short stacking energy: -422.896 Base-Backbone interact. energy: 3.460 local terms energy: -514.114691 where: bonds (distance) C4'-P energy: -121.541 bonds (distance) P-C4' energy: -132.577 flat angles C4'-P-C4' energy: -103.494 flat angles P-C4'-P energy: -86.419 tors. eta vs tors. theta energy: -70.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2959.817687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.817687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.817687 (E_RNA) where: Base-Base interactions energy: -2100.585 where: short stacking energy: -894.083 Base-Backbone interact. energy: -1.524 local terms energy: -857.709243 where: bonds (distance) C4'-P energy: -153.567 bonds (distance) P-C4' energy: -172.415 flat angles C4'-P-C4' energy: -181.635 flat angles P-C4'-P energy: -116.022 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: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2866.708588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.708588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.708588 (E_RNA) where: Base-Base interactions energy: -1984.765 where: short stacking energy: -880.385 Base-Backbone interact. energy: -4.114 local terms energy: -877.829748 where: bonds (distance) C4'-P energy: -163.216 bonds (distance) P-C4' energy: -175.249 flat angles C4'-P-C4' energy: -187.976 flat angles P-C4'-P energy: -121.287 tors. eta vs tors. theta energy: -230.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2794.267644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.267644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.267644 (E_RNA) where: Base-Base interactions energy: -1976.104 where: short stacking energy: -833.782 Base-Backbone interact. energy: -2.735 local terms energy: -815.428807 where: bonds (distance) C4'-P energy: -157.544 bonds (distance) P-C4' energy: -157.973 flat angles C4'-P-C4' energy: -174.921 flat angles P-C4'-P energy: -109.308 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: 4, replica: 10 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2695.409572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.409572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.409572 (E_RNA) where: Base-Base interactions energy: -1894.480 where: short stacking energy: -772.483 Base-Backbone interact. energy: 1.965 local terms energy: -802.894292 where: bonds (distance) C4'-P energy: -155.343 bonds (distance) P-C4' energy: -151.839 flat angles C4'-P-C4' energy: -167.033 flat angles P-C4'-P energy: -116.355 tors. eta vs tors. theta energy: -212.325 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: 183 Temperature: 1.100000 Total energy: -2579.158531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.158531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.158531 (E_RNA) where: Base-Base interactions energy: -1812.811 where: short stacking energy: -777.989 Base-Backbone interact. energy: -1.836 local terms energy: -764.511229 where: bonds (distance) C4'-P energy: -148.974 bonds (distance) P-C4' energy: -142.628 flat angles C4'-P-C4' energy: -164.670 flat angles P-C4'-P energy: -115.785 tors. eta vs tors. theta energy: -192.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2372.343712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.343712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.343712 (E_RNA) where: Base-Base interactions energy: -1658.803 where: short stacking energy: -693.996 Base-Backbone interact. energy: -2.693 local terms energy: -710.848162 where: bonds (distance) C4'-P energy: -138.009 bonds (distance) P-C4' energy: -150.980 flat angles C4'-P-C4' energy: -157.361 flat angles P-C4'-P energy: -96.714 tors. eta vs tors. theta energy: -167.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2195.089522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.089522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.089522 (E_RNA) where: Base-Base interactions energy: -1535.509 where: short stacking energy: -644.772 Base-Backbone interact. energy: -3.439 local terms energy: -656.141880 where: bonds (distance) C4'-P energy: -120.692 bonds (distance) P-C4' energy: -144.599 flat angles C4'-P-C4' energy: -155.883 flat angles P-C4'-P energy: -84.418 tors. eta vs tors. theta energy: -150.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1931.149080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.149080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.149080 (E_RNA) where: Base-Base interactions energy: -1318.368 where: short stacking energy: -570.613 Base-Backbone interact. energy: 0.463 local terms energy: -613.244105 where: bonds (distance) C4'-P energy: -138.880 bonds (distance) P-C4' energy: -108.540 flat angles C4'-P-C4' energy: -138.102 flat angles P-C4'-P energy: -85.447 tors. eta vs tors. theta energy: -142.277 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: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1425.057560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.057560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.057560 (E_RNA) where: Base-Base interactions energy: -914.455 where: short stacking energy: -429.652 Base-Backbone interact. energy: 0.444 local terms energy: -511.046589 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -131.795 flat angles C4'-P-C4' energy: -123.488 flat angles P-C4'-P energy: -73.350 tors. eta vs tors. theta energy: -64.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1452.680997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.680997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.680997 (E_RNA) where: Base-Base interactions energy: -898.155 where: short stacking energy: -428.405 Base-Backbone interact. energy: -2.186 local terms energy: -552.340674 where: bonds (distance) C4'-P energy: -127.666 bonds (distance) P-C4' energy: -121.565 flat angles C4'-P-C4' energy: -160.723 flat angles P-C4'-P energy: -73.449 tors. eta vs tors. theta energy: -68.938 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: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2936.833435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.833435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.833435 (E_RNA) where: Base-Base interactions energy: -2091.773 where: short stacking energy: -858.167 Base-Backbone interact. energy: -4.094 local terms energy: -840.965992 where: bonds (distance) C4'-P energy: -159.777 bonds (distance) P-C4' energy: -169.324 flat angles C4'-P-C4' energy: -171.898 flat angles P-C4'-P energy: -109.210 tors. eta vs tors. theta energy: -230.757 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: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2873.902152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.902152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.902152 (E_RNA) where: Base-Base interactions energy: -2013.545 where: short stacking energy: -869.562 Base-Backbone interact. energy: -1.781 local terms energy: -858.575932 where: bonds (distance) C4'-P energy: -157.769 bonds (distance) P-C4' energy: -163.938 flat angles C4'-P-C4' energy: -183.005 flat angles P-C4'-P energy: -118.798 tors. eta vs tors. theta energy: -235.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2794.909815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.909815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.909815 (E_RNA) where: Base-Base interactions energy: -1966.663 where: short stacking energy: -823.067 Base-Backbone interact. energy: -6.303 local terms energy: -821.943682 where: bonds (distance) C4'-P energy: -129.639 bonds (distance) P-C4' energy: -159.643 flat angles C4'-P-C4' energy: -181.914 flat angles P-C4'-P energy: -124.080 tors. eta vs tors. theta energy: -226.668 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: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2710.890519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.890519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.890519 (E_RNA) where: Base-Base interactions energy: -1930.277 where: short stacking energy: -796.001 Base-Backbone interact. energy: -4.607 local terms energy: -776.005983 where: bonds (distance) C4'-P energy: -155.402 bonds (distance) P-C4' energy: -130.534 flat angles C4'-P-C4' energy: -155.097 flat angles P-C4'-P energy: -114.220 tors. eta vs tors. theta energy: -220.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2552.401068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.401068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.401068 (E_RNA) where: Base-Base interactions energy: -1795.997 where: short stacking energy: -766.542 Base-Backbone interact. energy: -3.025 local terms energy: -753.379481 where: bonds (distance) C4'-P energy: -152.684 bonds (distance) P-C4' energy: -143.821 flat angles C4'-P-C4' energy: -170.776 flat angles P-C4'-P energy: -91.364 tors. eta vs tors. theta energy: -194.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2362.602796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.602796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.602796 (E_RNA) where: Base-Base interactions energy: -1648.360 where: short stacking energy: -695.718 Base-Backbone interact. energy: 0.762 local terms energy: -715.004951 where: bonds (distance) C4'-P energy: -138.338 bonds (distance) P-C4' energy: -138.435 flat angles C4'-P-C4' energy: -153.890 flat angles P-C4'-P energy: -108.320 tors. eta vs tors. theta energy: -176.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2244.483674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.483674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.483674 (E_RNA) where: Base-Base interactions energy: -1530.847 where: short stacking energy: -657.173 Base-Backbone interact. energy: -0.572 local terms energy: -713.064379 where: bonds (distance) C4'-P energy: -145.714 bonds (distance) P-C4' energy: -147.524 flat angles C4'-P-C4' energy: -157.257 flat angles P-C4'-P energy: -110.987 tors. eta vs tors. theta energy: -151.583 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: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1963.786907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.786907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.786907 (E_RNA) where: Base-Base interactions energy: -1332.788 where: short stacking energy: -543.265 Base-Backbone interact. energy: 0.619 local terms energy: -631.617830 where: bonds (distance) C4'-P energy: -138.253 bonds (distance) P-C4' energy: -159.614 flat angles C4'-P-C4' energy: -127.224 flat angles P-C4'-P energy: -75.607 tors. eta vs tors. theta energy: -130.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1434.964585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.964585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.964585 (E_RNA) where: Base-Base interactions energy: -922.985 where: short stacking energy: -436.131 Base-Backbone interact. energy: 1.781 local terms energy: -513.760302 where: bonds (distance) C4'-P energy: -116.152 bonds (distance) P-C4' energy: -121.146 flat angles C4'-P-C4' energy: -124.723 flat angles P-C4'-P energy: -96.175 tors. eta vs tors. theta energy: -55.565 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: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1413.255019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.255019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.255019 (E_RNA) where: Base-Base interactions energy: -938.751 where: short stacking energy: -421.320 Base-Backbone interact. energy: 1.492 local terms energy: -475.995785 where: bonds (distance) C4'-P energy: -98.934 bonds (distance) P-C4' energy: -138.248 flat angles C4'-P-C4' energy: -113.896 flat angles P-C4'-P energy: -63.346 tors. eta vs tors. theta energy: -61.571 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: 1, replica: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2917.305717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.305717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.305717 (E_RNA) where: Base-Base interactions energy: -2060.159 where: short stacking energy: -876.173 Base-Backbone interact. energy: -3.388 local terms energy: -853.759132 where: bonds (distance) C4'-P energy: -150.562 bonds (distance) P-C4' energy: -161.088 flat angles C4'-P-C4' energy: -188.416 flat angles P-C4'-P energy: -122.631 tors. eta vs tors. theta energy: -231.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2845.664510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.664510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.664510 (E_RNA) where: Base-Base interactions energy: -1998.756 where: short stacking energy: -846.119 Base-Backbone interact. energy: -6.341 local terms energy: -840.567576 where: bonds (distance) C4'-P energy: -138.681 bonds (distance) P-C4' energy: -171.331 flat angles C4'-P-C4' energy: -177.928 flat angles P-C4'-P energy: -107.671 tors. eta vs tors. theta energy: -244.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2786.037566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.037566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.037566 (E_RNA) where: Base-Base interactions energy: -1962.992 where: short stacking energy: -834.162 Base-Backbone interact. energy: -7.187 local terms energy: -815.859090 where: bonds (distance) C4'-P energy: -147.390 bonds (distance) P-C4' energy: -144.316 flat angles C4'-P-C4' energy: -181.356 flat angles P-C4'-P energy: -121.421 tors. eta vs tors. theta energy: -221.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2735.830793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.830793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.830793 (E_RNA) where: Base-Base interactions energy: -1934.669 where: short stacking energy: -795.593 Base-Backbone interact. energy: -4.098 local terms energy: -797.064037 where: bonds (distance) C4'-P energy: -139.789 bonds (distance) P-C4' energy: -158.983 flat angles C4'-P-C4' energy: -177.806 flat angles P-C4'-P energy: -109.801 tors. eta vs tors. theta energy: -210.684 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: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2530.184730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.184730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.184730 (E_RNA) where: Base-Base interactions energy: -1802.997 where: short stacking energy: -777.444 Base-Backbone interact. energy: -4.288 local terms energy: -722.899304 where: bonds (distance) C4'-P energy: -132.071 bonds (distance) P-C4' energy: -135.926 flat angles C4'-P-C4' energy: -160.168 flat angles P-C4'-P energy: -96.253 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: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2324.560603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.560603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.560603 (E_RNA) where: Base-Base interactions energy: -1645.448 where: short stacking energy: -701.628 Base-Backbone interact. energy: -2.590 local terms energy: -676.523316 where: bonds (distance) C4'-P energy: -114.513 bonds (distance) P-C4' energy: -144.711 flat angles C4'-P-C4' energy: -150.953 flat angles P-C4'-P energy: -97.535 tors. eta vs tors. theta energy: -168.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2154.485994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.485994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.485994 (E_RNA) where: Base-Base interactions energy: -1485.928 where: short stacking energy: -641.018 Base-Backbone interact. energy: 0.342 local terms energy: -668.899656 where: bonds (distance) C4'-P energy: -139.283 bonds (distance) P-C4' energy: -135.323 flat angles C4'-P-C4' energy: -142.734 flat angles P-C4'-P energy: -99.048 tors. eta vs tors. theta energy: -152.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1896.808902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.808902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.808902 (E_RNA) where: Base-Base interactions energy: -1278.502 where: short stacking energy: -558.741 Base-Backbone interact. energy: -0.113 local terms energy: -618.194707 where: bonds (distance) C4'-P energy: -132.400 bonds (distance) P-C4' energy: -143.427 flat angles C4'-P-C4' energy: -132.214 flat angles P-C4'-P energy: -92.813 tors. eta vs tors. theta energy: -117.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1459.099461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.099461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.099461 (E_RNA) where: Base-Base interactions energy: -945.746 where: short stacking energy: -422.697 Base-Backbone interact. energy: -4.798 local terms energy: -508.555093 where: bonds (distance) C4'-P energy: -111.148 bonds (distance) P-C4' energy: -138.229 flat angles C4'-P-C4' energy: -128.294 flat angles P-C4'-P energy: -77.709 tors. eta vs tors. theta energy: -53.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1473.741856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.741856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.741856 (E_RNA) where: Base-Base interactions energy: -952.979 where: short stacking energy: -440.987 Base-Backbone interact. energy: -3.656 local terms energy: -517.107022 where: bonds (distance) C4'-P energy: -120.435 bonds (distance) P-C4' energy: -115.651 flat angles C4'-P-C4' energy: -135.452 flat angles P-C4'-P energy: -65.915 tors. eta vs tors. theta energy: -79.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2955.466990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.466990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.466990 (E_RNA) where: Base-Base interactions energy: -2097.467 where: short stacking energy: -881.044 Base-Backbone interact. energy: -0.859 local terms energy: -857.140880 where: bonds (distance) C4'-P energy: -148.838 bonds (distance) P-C4' energy: -164.928 flat angles C4'-P-C4' energy: -183.867 flat angles P-C4'-P energy: -128.953 tors. eta vs tors. theta energy: -230.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2854.713352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.713352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.713352 (E_RNA) where: Base-Base interactions energy: -2027.357 where: short stacking energy: -899.314 Base-Backbone interact. energy: -4.739 local terms energy: -822.617072 where: bonds (distance) C4'-P energy: -141.110 bonds (distance) P-C4' energy: -162.213 flat angles C4'-P-C4' energy: -164.673 flat angles P-C4'-P energy: -113.315 tors. eta vs tors. theta energy: -241.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2815.620177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.620177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.620177 (E_RNA) where: Base-Base interactions energy: -1996.359 where: short stacking energy: -828.276 Base-Backbone interact. energy: -3.669 local terms energy: -815.593108 where: bonds (distance) C4'-P energy: -146.723 bonds (distance) P-C4' energy: -142.035 flat angles C4'-P-C4' energy: -180.157 flat angles P-C4'-P energy: -126.947 tors. eta vs tors. theta energy: -219.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2732.935830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.935830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.935830 (E_RNA) where: Base-Base interactions energy: -1944.891 where: short stacking energy: -800.172 Base-Backbone interact. energy: -1.480 local terms energy: -786.564616 where: bonds (distance) C4'-P energy: -127.252 bonds (distance) P-C4' energy: -166.756 flat angles C4'-P-C4' energy: -166.857 flat angles P-C4'-P energy: -104.662 tors. eta vs tors. theta energy: -221.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2529.394095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.394095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.394095 (E_RNA) where: Base-Base interactions energy: -1742.647 where: short stacking energy: -774.792 Base-Backbone interact. energy: -7.914 local terms energy: -778.832775 where: bonds (distance) C4'-P energy: -138.584 bonds (distance) P-C4' energy: -142.401 flat angles C4'-P-C4' energy: -172.716 flat angles P-C4'-P energy: -112.333 tors. eta vs tors. theta energy: -212.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2339.351687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.351687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.351687 (E_RNA) where: Base-Base interactions energy: -1657.037 where: short stacking energy: -696.852 Base-Backbone interact. energy: 1.674 local terms energy: -683.988903 where: bonds (distance) C4'-P energy: -131.958 bonds (distance) P-C4' energy: -139.077 flat angles C4'-P-C4' energy: -163.637 flat angles P-C4'-P energy: -69.239 tors. eta vs tors. theta energy: -180.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2217.049866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.049866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.049866 (E_RNA) where: Base-Base interactions energy: -1557.224 where: short stacking energy: -653.225 Base-Backbone interact. energy: 2.050 local terms energy: -661.876618 where: bonds (distance) C4'-P energy: -124.839 bonds (distance) P-C4' energy: -145.583 flat angles C4'-P-C4' energy: -154.541 flat angles P-C4'-P energy: -87.372 tors. eta vs tors. theta energy: -149.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1969.881989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.881989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.881989 (E_RNA) where: Base-Base interactions energy: -1339.973 where: short stacking energy: -580.996 Base-Backbone interact. energy: 0.197 local terms energy: -630.105504 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -122.550 flat angles C4'-P-C4' energy: -146.203 flat angles P-C4'-P energy: -95.290 tors. eta vs tors. theta energy: -152.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1502.127580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.127580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.127580 (E_RNA) where: Base-Base interactions energy: -981.769 where: short stacking energy: -473.015 Base-Backbone interact. energy: 3.380 local terms energy: -523.739312 where: bonds (distance) C4'-P energy: -118.756 bonds (distance) P-C4' energy: -89.603 flat angles C4'-P-C4' energy: -143.162 flat angles P-C4'-P energy: -82.403 tors. eta vs tors. theta energy: -89.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1452.528425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.528425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.528425 (E_RNA) where: Base-Base interactions energy: -945.161 where: short stacking energy: -412.485 Base-Backbone interact. energy: 0.381 local terms energy: -507.749002 where: bonds (distance) C4'-P energy: -101.522 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -134.370 flat angles P-C4'-P energy: -80.075 tors. eta vs tors. theta energy: -50.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2942.887260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.887260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.887260 (E_RNA) where: Base-Base interactions energy: -2100.123 where: short stacking energy: -876.328 Base-Backbone interact. energy: -0.537 local terms energy: -842.226837 where: bonds (distance) C4'-P energy: -151.643 bonds (distance) P-C4' energy: -162.026 flat angles C4'-P-C4' energy: -184.978 flat angles P-C4'-P energy: -121.928 tors. eta vs tors. theta energy: -221.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2837.557952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.557952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.557952 (E_RNA) where: Base-Base interactions energy: -1976.750 where: short stacking energy: -871.307 Base-Backbone interact. energy: -2.543 local terms energy: -858.264253 where: bonds (distance) C4'-P energy: -139.984 bonds (distance) P-C4' energy: -159.159 flat angles C4'-P-C4' energy: -194.182 flat angles P-C4'-P energy: -123.582 tors. eta vs tors. theta energy: -241.357 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: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2807.382941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.382941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.382941 (E_RNA) where: Base-Base interactions energy: -2010.964 where: short stacking energy: -855.940 Base-Backbone interact. energy: -0.747 local terms energy: -795.672291 where: bonds (distance) C4'-P energy: -139.563 bonds (distance) P-C4' energy: -141.365 flat angles C4'-P-C4' energy: -194.097 flat angles P-C4'-P energy: -101.209 tors. eta vs tors. theta energy: -219.438 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: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2701.713061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.713061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.713061 (E_RNA) where: Base-Base interactions energy: -1949.401 where: short stacking energy: -779.536 Base-Backbone interact. energy: -2.882 local terms energy: -749.429798 where: bonds (distance) C4'-P energy: -130.997 bonds (distance) P-C4' energy: -143.683 flat angles C4'-P-C4' energy: -160.401 flat angles P-C4'-P energy: -113.375 tors. eta vs tors. theta energy: -200.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2506.712763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.712763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.712763 (E_RNA) where: Base-Base interactions energy: -1781.112 where: short stacking energy: -757.446 Base-Backbone interact. energy: -2.182 local terms energy: -723.419041 where: bonds (distance) C4'-P energy: -135.177 bonds (distance) P-C4' energy: -142.052 flat angles C4'-P-C4' energy: -157.172 flat angles P-C4'-P energy: -96.096 tors. eta vs tors. theta energy: -192.923 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: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2376.223143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.223143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.223143 (E_RNA) where: Base-Base interactions energy: -1667.724 where: short stacking energy: -745.609 Base-Backbone interact. energy: -1.233 local terms energy: -707.266403 where: bonds (distance) C4'-P energy: -131.407 bonds (distance) P-C4' energy: -149.302 flat angles C4'-P-C4' energy: -163.184 flat angles P-C4'-P energy: -77.491 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: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2177.864433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.864433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.864433 (E_RNA) where: Base-Base interactions energy: -1499.244 where: short stacking energy: -646.998 Base-Backbone interact. energy: -1.154 local terms energy: -677.466443 where: bonds (distance) C4'-P energy: -128.423 bonds (distance) P-C4' energy: -128.456 flat angles C4'-P-C4' energy: -150.130 flat angles P-C4'-P energy: -102.064 tors. eta vs tors. theta energy: -168.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1911.592224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.592224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.592224 (E_RNA) where: Base-Base interactions energy: -1324.905 where: short stacking energy: -578.925 Base-Backbone interact. energy: 0.574 local terms energy: -587.260731 where: bonds (distance) C4'-P energy: -119.477 bonds (distance) P-C4' energy: -105.591 flat angles C4'-P-C4' energy: -134.117 flat angles P-C4'-P energy: -96.325 tors. eta vs tors. theta energy: -131.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1611.142434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.142434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.142434 (E_RNA) where: Base-Base interactions energy: -1060.351 where: short stacking energy: -484.894 Base-Backbone interact. energy: 0.358 local terms energy: -551.148947 where: bonds (distance) C4'-P energy: -114.989 bonds (distance) P-C4' energy: -136.402 flat angles C4'-P-C4' energy: -119.518 flat angles P-C4'-P energy: -87.598 tors. eta vs tors. theta energy: -92.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1479.293918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.293918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.293918 (E_RNA) where: Base-Base interactions energy: -985.761 where: short stacking energy: -454.708 Base-Backbone interact. energy: -1.885 local terms energy: -491.647814 where: bonds (distance) C4'-P energy: -97.610 bonds (distance) P-C4' energy: -121.904 flat angles C4'-P-C4' energy: -148.469 flat angles P-C4'-P energy: -63.917 tors. eta vs tors. theta energy: -59.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2914.512421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.512421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.512421 (E_RNA) where: Base-Base interactions energy: -2054.094 where: short stacking energy: -883.642 Base-Backbone interact. energy: -4.331 local terms energy: -856.087907 where: bonds (distance) C4'-P energy: -152.701 bonds (distance) P-C4' energy: -148.446 flat angles C4'-P-C4' energy: -189.017 flat angles P-C4'-P energy: -124.288 tors. eta vs tors. theta energy: -241.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2869.201840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.201840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.201840 (E_RNA) where: Base-Base interactions energy: -2058.856 where: short stacking energy: -868.296 Base-Backbone interact. energy: -4.376 local terms energy: -805.969518 where: bonds (distance) C4'-P energy: -151.666 bonds (distance) P-C4' energy: -150.857 flat angles C4'-P-C4' energy: -178.678 flat angles P-C4'-P energy: -106.088 tors. eta vs tors. theta energy: -218.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2806.413492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.413492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.413492 (E_RNA) where: Base-Base interactions energy: -1990.987 where: short stacking energy: -833.105 Base-Backbone interact. energy: -1.678 local terms energy: -813.748279 where: bonds (distance) C4'-P energy: -150.239 bonds (distance) P-C4' energy: -156.097 flat angles C4'-P-C4' energy: -174.117 flat angles P-C4'-P energy: -115.550 tors. eta vs tors. theta energy: -217.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2733.868379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.868379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.868379 (E_RNA) where: Base-Base interactions energy: -1953.361 where: short stacking energy: -791.838 Base-Backbone interact. energy: 1.150 local terms energy: -781.657138 where: bonds (distance) C4'-P energy: -167.546 bonds (distance) P-C4' energy: -142.420 flat angles C4'-P-C4' energy: -164.183 flat angles P-C4'-P energy: -105.098 tors. eta vs tors. theta energy: -202.410 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: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2565.386491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.386491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.386491 (E_RNA) where: Base-Base interactions energy: -1818.982 where: short stacking energy: -751.193 Base-Backbone interact. energy: -4.709 local terms energy: -741.695802 where: bonds (distance) C4'-P energy: -150.959 bonds (distance) P-C4' energy: -143.611 flat angles C4'-P-C4' energy: -162.615 flat angles P-C4'-P energy: -101.339 tors. eta vs tors. theta energy: -183.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2375.275265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.275265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.275265 (E_RNA) where: Base-Base interactions energy: -1662.811 where: short stacking energy: -700.357 Base-Backbone interact. energy: -2.905 local terms energy: -709.558715 where: bonds (distance) C4'-P energy: -142.093 bonds (distance) P-C4' energy: -132.457 flat angles C4'-P-C4' energy: -164.227 flat angles P-C4'-P energy: -100.820 tors. eta vs tors. theta energy: -169.962 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: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2187.930424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.930424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.930424 (E_RNA) where: Base-Base interactions energy: -1506.448 where: short stacking energy: -687.200 Base-Backbone interact. energy: -2.667 local terms energy: -678.815468 where: bonds (distance) C4'-P energy: -125.340 bonds (distance) P-C4' energy: -141.294 flat angles C4'-P-C4' energy: -145.959 flat angles P-C4'-P energy: -106.825 tors. eta vs tors. theta energy: -159.397 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: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1879.051677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.051677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.051677 (E_RNA) where: Base-Base interactions energy: -1306.327 where: short stacking energy: -553.700 Base-Backbone interact. energy: -2.705 local terms energy: -570.020209 where: bonds (distance) C4'-P energy: -107.666 bonds (distance) P-C4' energy: -116.448 flat angles C4'-P-C4' energy: -143.616 flat angles P-C4'-P energy: -68.065 tors. eta vs tors. theta energy: -134.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1513.551558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.551558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.551558 (E_RNA) where: Base-Base interactions energy: -979.413 where: short stacking energy: -423.479 Base-Backbone interact. energy: -1.715 local terms energy: -532.423605 where: bonds (distance) C4'-P energy: -110.814 bonds (distance) P-C4' energy: -160.417 flat angles C4'-P-C4' energy: -136.456 flat angles P-C4'-P energy: -80.396 tors. eta vs tors. theta energy: -44.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1556.469447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.469447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.469447 (E_RNA) where: Base-Base interactions energy: -998.116 where: short stacking energy: -460.659 Base-Backbone interact. energy: -3.626 local terms energy: -554.727492 where: bonds (distance) C4'-P energy: -124.196 bonds (distance) P-C4' energy: -142.941 flat angles C4'-P-C4' energy: -131.229 flat angles P-C4'-P energy: -79.050 tors. eta vs tors. theta energy: -77.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2895.379725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.379725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.379725 (E_RNA) where: Base-Base interactions energy: -2025.218 where: short stacking energy: -892.688 Base-Backbone interact. energy: -4.154 local terms energy: -866.008355 where: bonds (distance) C4'-P energy: -158.432 bonds (distance) P-C4' energy: -150.099 flat angles C4'-P-C4' energy: -178.575 flat angles P-C4'-P energy: -134.937 tors. eta vs tors. theta energy: -243.966 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: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2912.503822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.503822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.503822 (E_RNA) where: Base-Base interactions energy: -2061.209 where: short stacking energy: -872.589 Base-Backbone interact. energy: -3.404 local terms energy: -847.890234 where: bonds (distance) C4'-P energy: -150.458 bonds (distance) P-C4' energy: -172.836 flat angles C4'-P-C4' energy: -190.577 flat angles P-C4'-P energy: -107.637 tors. eta vs tors. theta energy: -226.383 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: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2801.441534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.441534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.441534 (E_RNA) where: Base-Base interactions energy: -1979.496 where: short stacking energy: -822.194 Base-Backbone interact. energy: -6.721 local terms energy: -815.223879 where: bonds (distance) C4'-P energy: -146.470 bonds (distance) P-C4' energy: -158.187 flat angles C4'-P-C4' energy: -173.779 flat angles P-C4'-P energy: -116.636 tors. eta vs tors. theta energy: -220.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2721.950938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.950938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.950938 (E_RNA) where: Base-Base interactions energy: -1935.459 where: short stacking energy: -776.877 Base-Backbone interact. energy: -6.446 local terms energy: -780.045546 where: bonds (distance) C4'-P energy: -137.211 bonds (distance) P-C4' energy: -164.345 flat angles C4'-P-C4' energy: -156.756 flat angles P-C4'-P energy: -119.320 tors. eta vs tors. theta energy: -202.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2480.204089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.204089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.204089 (E_RNA) where: Base-Base interactions energy: -1767.707 where: short stacking energy: -748.989 Base-Backbone interact. energy: -3.609 local terms energy: -708.888784 where: bonds (distance) C4'-P energy: -136.059 bonds (distance) P-C4' energy: -134.821 flat angles C4'-P-C4' energy: -144.480 flat angles P-C4'-P energy: -107.361 tors. eta vs tors. theta energy: -186.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2377.496854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.496854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.496854 (E_RNA) where: Base-Base interactions energy: -1666.433 where: short stacking energy: -729.238 Base-Backbone interact. energy: 0.975 local terms energy: -712.038168 where: bonds (distance) C4'-P energy: -131.456 bonds (distance) P-C4' energy: -138.087 flat angles C4'-P-C4' energy: -159.386 flat angles P-C4'-P energy: -103.180 tors. eta vs tors. theta energy: -179.930 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: 189 Temperature: 1.200000 Total energy: -2198.033839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.033839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.033839 (E_RNA) where: Base-Base interactions energy: -1515.140 where: short stacking energy: -612.554 Base-Backbone interact. energy: -4.389 local terms energy: -678.504742 where: bonds (distance) C4'-P energy: -125.005 bonds (distance) P-C4' energy: -144.578 flat angles C4'-P-C4' energy: -157.913 flat angles P-C4'-P energy: -106.210 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: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1920.400217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.400217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.400217 (E_RNA) where: Base-Base interactions energy: -1330.812 where: short stacking energy: -582.963 Base-Backbone interact. energy: -2.829 local terms energy: -586.759353 where: bonds (distance) C4'-P energy: -130.310 bonds (distance) P-C4' energy: -127.115 flat angles C4'-P-C4' energy: -141.518 flat angles P-C4'-P energy: -59.343 tors. eta vs tors. theta energy: -128.473 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: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1548.933165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.933165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.933165 (E_RNA) where: Base-Base interactions energy: -1011.134 where: short stacking energy: -461.550 Base-Backbone interact. energy: 1.749 local terms energy: -539.548198 where: bonds (distance) C4'-P energy: -136.313 bonds (distance) P-C4' energy: -131.313 flat angles C4'-P-C4' energy: -128.975 flat angles P-C4'-P energy: -68.967 tors. eta vs tors. theta energy: -73.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1563.737476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.737476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.737476 (E_RNA) where: Base-Base interactions energy: -1057.308 where: short stacking energy: -484.881 Base-Backbone interact. energy: 0.716 local terms energy: -507.144690 where: bonds (distance) C4'-P energy: -108.112 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -120.986 flat angles P-C4'-P energy: -66.240 tors. eta vs tors. theta energy: -85.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2920.567919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.567919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.567919 (E_RNA) where: Base-Base interactions energy: -2062.115 where: short stacking energy: -909.663 Base-Backbone interact. energy: 1.354 local terms energy: -859.806970 where: bonds (distance) C4'-P energy: -143.447 bonds (distance) P-C4' energy: -163.830 flat angles C4'-P-C4' energy: -186.188 flat angles P-C4'-P energy: -119.850 tors. eta vs tors. theta energy: -246.492 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: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2866.179368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.179368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.179368 (E_RNA) where: Base-Base interactions energy: -2045.682 where: short stacking energy: -839.204 Base-Backbone interact. energy: -4.973 local terms energy: -815.524947 where: bonds (distance) C4'-P energy: -151.804 bonds (distance) P-C4' energy: -146.915 flat angles C4'-P-C4' energy: -169.603 flat angles P-C4'-P energy: -131.924 tors. eta vs tors. theta energy: -215.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2773.406731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.406731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.406731 (E_RNA) where: Base-Base interactions energy: -1971.458 where: short stacking energy: -825.035 Base-Backbone interact. energy: -3.250 local terms energy: -798.698358 where: bonds (distance) C4'-P energy: -141.808 bonds (distance) P-C4' energy: -146.809 flat angles C4'-P-C4' energy: -169.310 flat angles P-C4'-P energy: -120.479 tors. eta vs tors. theta energy: -220.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2704.455950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.455950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.455950 (E_RNA) where: Base-Base interactions energy: -1921.125 where: short stacking energy: -824.717 Base-Backbone interact. energy: -3.295 local terms energy: -780.035739 where: bonds (distance) C4'-P energy: -127.991 bonds (distance) P-C4' energy: -153.501 flat angles C4'-P-C4' energy: -165.099 flat angles P-C4'-P energy: -123.539 tors. eta vs tors. theta energy: -209.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2545.600971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.600971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.600971 (E_RNA) where: Base-Base interactions energy: -1800.977 where: short stacking energy: -765.601 Base-Backbone interact. energy: -0.496 local terms energy: -744.128600 where: bonds (distance) C4'-P energy: -136.115 bonds (distance) P-C4' energy: -158.125 flat angles C4'-P-C4' energy: -159.794 flat angles P-C4'-P energy: -98.257 tors. eta vs tors. theta energy: -191.837 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: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2375.325244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.325244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.325244 (E_RNA) where: Base-Base interactions energy: -1669.824 where: short stacking energy: -733.153 Base-Backbone interact. energy: -0.114 local terms energy: -705.387455 where: bonds (distance) C4'-P energy: -133.025 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -156.336 flat angles P-C4'-P energy: -107.612 tors. eta vs tors. theta energy: -182.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2249.060734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.060734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.060734 (E_RNA) where: Base-Base interactions energy: -1570.846 where: short stacking energy: -638.907 Base-Backbone interact. energy: 4.794 local terms energy: -683.008697 where: bonds (distance) C4'-P energy: -132.020 bonds (distance) P-C4' energy: -149.517 flat angles C4'-P-C4' energy: -150.158 flat angles P-C4'-P energy: -93.255 tors. eta vs tors. theta energy: -158.059 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: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1918.963496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.963496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.963496 (E_RNA) where: Base-Base interactions energy: -1319.696 where: short stacking energy: -572.891 Base-Backbone interact. energy: -1.658 local terms energy: -597.609197 where: bonds (distance) C4'-P energy: -136.515 bonds (distance) P-C4' energy: -132.219 flat angles C4'-P-C4' energy: -135.566 flat angles P-C4'-P energy: -66.614 tors. eta vs tors. theta energy: -126.696 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: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1694.652857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.652857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.652857 (E_RNA) where: Base-Base interactions energy: -1084.441 where: short stacking energy: -501.212 Base-Backbone interact. energy: -2.366 local terms energy: -607.846810 where: bonds (distance) C4'-P energy: -129.624 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -133.324 flat angles P-C4'-P energy: -96.087 tors. eta vs tors. theta energy: -108.390 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: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1486.184781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.184781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.184781 (E_RNA) where: Base-Base interactions energy: -982.408 where: short stacking energy: -443.521 Base-Backbone interact. energy: -4.185 local terms energy: -499.592226 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -130.822 flat angles C4'-P-C4' energy: -124.625 flat angles P-C4'-P energy: -63.011 tors. eta vs tors. theta energy: -58.846 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: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2931.818060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.818060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.818060 (E_RNA) where: Base-Base interactions energy: -2058.050 where: short stacking energy: -901.999 Base-Backbone interact. energy: -1.864 local terms energy: -871.903987 where: bonds (distance) C4'-P energy: -173.337 bonds (distance) P-C4' energy: -143.706 flat angles C4'-P-C4' energy: -185.525 flat angles P-C4'-P energy: -117.395 tors. eta vs tors. theta energy: -251.941 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: 191 Temperature: 0.950000 Total energy: -2884.729710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.729710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.729710 (E_RNA) where: Base-Base interactions energy: -2023.106 where: short stacking energy: -851.967 Base-Backbone interact. energy: -2.584 local terms energy: -859.039534 where: bonds (distance) C4'-P energy: -150.777 bonds (distance) P-C4' energy: -156.831 flat angles C4'-P-C4' energy: -185.237 flat angles P-C4'-P energy: -132.295 tors. eta vs tors. theta energy: -233.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2795.072666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.072666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.072666 (E_RNA) where: Base-Base interactions energy: -1985.603 where: short stacking energy: -837.805 Base-Backbone interact. energy: -0.340 local terms energy: -809.129686 where: bonds (distance) C4'-P energy: -146.218 bonds (distance) P-C4' energy: -152.101 flat angles C4'-P-C4' energy: -174.208 flat angles P-C4'-P energy: -110.302 tors. eta vs tors. theta energy: -226.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2674.471507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.471507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.471507 (E_RNA) where: Base-Base interactions energy: -1875.145 where: short stacking energy: -769.126 Base-Backbone interact. energy: -0.474 local terms energy: -798.853269 where: bonds (distance) C4'-P energy: -150.822 bonds (distance) P-C4' energy: -153.957 flat angles C4'-P-C4' energy: -171.947 flat angles P-C4'-P energy: -107.270 tors. eta vs tors. theta energy: -214.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2525.508585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.508585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.508585 (E_RNA) where: Base-Base interactions energy: -1795.071 where: short stacking energy: -744.964 Base-Backbone interact. energy: -5.521 local terms energy: -724.917222 where: bonds (distance) C4'-P energy: -131.126 bonds (distance) P-C4' energy: -155.258 flat angles C4'-P-C4' energy: -167.558 flat angles P-C4'-P energy: -87.734 tors. eta vs tors. theta energy: -183.241 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: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2371.709416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.709416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.709416 (E_RNA) where: Base-Base interactions energy: -1662.976 where: short stacking energy: -710.295 Base-Backbone interact. energy: -2.628 local terms energy: -706.105863 where: bonds (distance) C4'-P energy: -142.494 bonds (distance) P-C4' energy: -137.236 flat angles C4'-P-C4' energy: -152.881 flat angles P-C4'-P energy: -96.307 tors. eta vs tors. theta energy: -177.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2254.422434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.422434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.422434 (E_RNA) where: Base-Base interactions energy: -1574.506 where: short stacking energy: -680.635 Base-Backbone interact. energy: -2.459 local terms energy: -677.457532 where: bonds (distance) C4'-P energy: -122.540 bonds (distance) P-C4' energy: -127.103 flat angles C4'-P-C4' energy: -167.643 flat angles P-C4'-P energy: -95.989 tors. eta vs tors. theta energy: -164.182 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: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1854.286063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.286063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.286063 (E_RNA) where: Base-Base interactions energy: -1288.014 where: short stacking energy: -531.415 Base-Backbone interact. energy: 0.515 local terms energy: -566.786504 where: bonds (distance) C4'-P energy: -118.952 bonds (distance) P-C4' energy: -115.306 flat angles C4'-P-C4' energy: -141.937 flat angles P-C4'-P energy: -90.795 tors. eta vs tors. theta energy: -99.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1694.373012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.373012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.373012 (E_RNA) where: Base-Base interactions energy: -1129.667 where: short stacking energy: -520.188 Base-Backbone interact. energy: -0.854 local terms energy: -563.852594 where: bonds (distance) C4'-P energy: -107.625 bonds (distance) P-C4' energy: -121.954 flat angles C4'-P-C4' energy: -141.832 flat angles P-C4'-P energy: -84.224 tors. eta vs tors. theta energy: -108.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1416.686468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.686468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.686468 (E_RNA) where: Base-Base interactions energy: -910.582 where: short stacking energy: -422.173 Base-Backbone interact. energy: 1.619 local terms energy: -507.723689 where: bonds (distance) C4'-P energy: -128.606 bonds (distance) P-C4' energy: -123.172 flat angles C4'-P-C4' energy: -111.848 flat angles P-C4'-P energy: -82.373 tors. eta vs tors. theta energy: -61.726 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: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2921.342971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.342971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.342971 (E_RNA) where: Base-Base interactions energy: -2058.864 where: short stacking energy: -889.373 Base-Backbone interact. energy: -3.881 local terms energy: -858.597763 where: bonds (distance) C4'-P energy: -159.733 bonds (distance) P-C4' energy: -173.301 flat angles C4'-P-C4' energy: -176.624 flat angles P-C4'-P energy: -120.904 tors. eta vs tors. theta energy: -228.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2840.196126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.196126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.196126 (E_RNA) where: Base-Base interactions energy: -2017.526 where: short stacking energy: -856.621 Base-Backbone interact. energy: -0.910 local terms energy: -821.760049 where: bonds (distance) C4'-P energy: -141.794 bonds (distance) P-C4' energy: -158.805 flat angles C4'-P-C4' energy: -169.726 flat angles P-C4'-P energy: -118.513 tors. eta vs tors. theta energy: -232.921 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: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2820.770667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.770667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.770667 (E_RNA) where: Base-Base interactions energy: -2025.845 where: short stacking energy: -838.154 Base-Backbone interact. energy: -6.686 local terms energy: -788.240050 where: bonds (distance) C4'-P energy: -144.475 bonds (distance) P-C4' energy: -157.985 flat angles C4'-P-C4' energy: -162.694 flat angles P-C4'-P energy: -104.306 tors. eta vs tors. theta energy: -218.780 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: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2700.445181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.445181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.445181 (E_RNA) where: Base-Base interactions energy: -1920.873 where: short stacking energy: -801.471 Base-Backbone interact. energy: -3.740 local terms energy: -775.831433 where: bonds (distance) C4'-P energy: -139.683 bonds (distance) P-C4' energy: -153.276 flat angles C4'-P-C4' energy: -163.439 flat angles P-C4'-P energy: -110.875 tors. eta vs tors. theta energy: -208.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2513.519369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.519369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.519369 (E_RNA) where: Base-Base interactions energy: -1785.954 where: short stacking energy: -758.019 Base-Backbone interact. energy: 3.390 local terms energy: -730.955757 where: bonds (distance) C4'-P energy: -137.188 bonds (distance) P-C4' energy: -142.686 flat angles C4'-P-C4' energy: -177.004 flat angles P-C4'-P energy: -98.636 tors. eta vs tors. theta energy: -175.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2378.227179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.227179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.227179 (E_RNA) where: Base-Base interactions energy: -1672.801 where: short stacking energy: -740.038 Base-Backbone interact. energy: -0.371 local terms energy: -705.055616 where: bonds (distance) C4'-P energy: -135.440 bonds (distance) P-C4' energy: -126.420 flat angles C4'-P-C4' energy: -159.735 flat angles P-C4'-P energy: -98.906 tors. eta vs tors. theta energy: -184.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2207.894014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.894014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.894014 (E_RNA) where: Base-Base interactions energy: -1532.173 where: short stacking energy: -645.782 Base-Backbone interact. energy: 4.584 local terms energy: -680.305664 where: bonds (distance) C4'-P energy: -138.961 bonds (distance) P-C4' energy: -141.456 flat angles C4'-P-C4' energy: -148.439 flat angles P-C4'-P energy: -92.157 tors. eta vs tors. theta energy: -159.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1915.952782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.952782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.952782 (E_RNA) where: Base-Base interactions energy: -1325.672 where: short stacking energy: -570.166 Base-Backbone interact. energy: 4.246 local terms energy: -594.527047 where: bonds (distance) C4'-P energy: -119.979 bonds (distance) P-C4' energy: -128.185 flat angles C4'-P-C4' energy: -136.008 flat angles P-C4'-P energy: -76.783 tors. eta vs tors. theta energy: -133.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1696.463922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.463922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.463922 (E_RNA) where: Base-Base interactions energy: -1115.260 where: short stacking energy: -463.461 Base-Backbone interact. energy: -1.824 local terms energy: -579.379662 where: bonds (distance) C4'-P energy: -137.864 bonds (distance) P-C4' energy: -141.249 flat angles C4'-P-C4' energy: -134.656 flat angles P-C4'-P energy: -76.814 tors. eta vs tors. theta energy: -88.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1420.284483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.284483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.284483 (E_RNA) where: Base-Base interactions energy: -886.994 where: short stacking energy: -416.512 Base-Backbone interact. energy: 2.751 local terms energy: -536.041225 where: bonds (distance) C4'-P energy: -127.241 bonds (distance) P-C4' energy: -149.611 flat angles C4'-P-C4' energy: -119.705 flat angles P-C4'-P energy: -71.614 tors. eta vs tors. theta energy: -67.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2901.852125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.852125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.852125 (E_RNA) where: Base-Base interactions energy: -2042.893 where: short stacking energy: -885.438 Base-Backbone interact. energy: -4.143 local terms energy: -854.816262 where: bonds (distance) C4'-P energy: -141.382 bonds (distance) P-C4' energy: -167.289 flat angles C4'-P-C4' energy: -181.778 flat angles P-C4'-P energy: -131.362 tors. eta vs tors. theta energy: -233.005 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: 193 Temperature: 0.950000 Total energy: -2868.041483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.041483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.041483 (E_RNA) where: Base-Base interactions energy: -2066.605 where: short stacking energy: -876.154 Base-Backbone interact. energy: 1.136 local terms energy: -802.572322 where: bonds (distance) C4'-P energy: -158.721 bonds (distance) P-C4' energy: -139.877 flat angles C4'-P-C4' energy: -179.006 flat angles P-C4'-P energy: -95.217 tors. eta vs tors. theta energy: -229.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2811.297768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.297768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.297768 (E_RNA) where: Base-Base interactions energy: -2021.067 where: short stacking energy: -849.570 Base-Backbone interact. energy: -2.090 local terms energy: -788.140919 where: bonds (distance) C4'-P energy: -140.118 bonds (distance) P-C4' energy: -143.734 flat angles C4'-P-C4' energy: -176.642 flat angles P-C4'-P energy: -110.516 tors. eta vs tors. theta energy: -217.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2692.945015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.945015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.945015 (E_RNA) where: Base-Base interactions energy: -1934.549 where: short stacking energy: -794.158 Base-Backbone interact. energy: -2.524 local terms energy: -755.872058 where: bonds (distance) C4'-P energy: -142.987 bonds (distance) P-C4' energy: -140.145 flat angles C4'-P-C4' energy: -168.036 flat angles P-C4'-P energy: -99.870 tors. eta vs tors. theta energy: -204.834 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: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2505.681071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.681071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.681071 (E_RNA) where: Base-Base interactions energy: -1755.831 where: short stacking energy: -744.171 Base-Backbone interact. energy: -0.598 local terms energy: -749.252064 where: bonds (distance) C4'-P energy: -156.497 bonds (distance) P-C4' energy: -149.299 flat angles C4'-P-C4' energy: -171.662 flat angles P-C4'-P energy: -103.724 tors. eta vs tors. theta energy: -168.070 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: 193 Temperature: 1.150000 Total energy: -2376.612642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.612642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.612642 (E_RNA) where: Base-Base interactions energy: -1669.212 where: short stacking energy: -722.921 Base-Backbone interact. energy: -2.031 local terms energy: -705.369142 where: bonds (distance) C4'-P energy: -132.110 bonds (distance) P-C4' energy: -150.258 flat angles C4'-P-C4' energy: -160.438 flat angles P-C4'-P energy: -76.785 tors. eta vs tors. theta energy: -185.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -2158.265202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.265202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.265202 (E_RNA) where: Base-Base interactions energy: -1501.986 where: short stacking energy: -638.427 Base-Backbone interact. energy: 3.651 local terms energy: -659.930026 where: bonds (distance) C4'-P energy: -129.804 bonds (distance) P-C4' energy: -133.270 flat angles C4'-P-C4' energy: -159.493 flat angles P-C4'-P energy: -86.554 tors. eta vs tors. theta energy: -150.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1958.464077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.464077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.464077 (E_RNA) where: Base-Base interactions energy: -1362.925 where: short stacking energy: -589.942 Base-Backbone interact. energy: -3.277 local terms energy: -592.262232 where: bonds (distance) C4'-P energy: -113.154 bonds (distance) P-C4' energy: -123.147 flat angles C4'-P-C4' energy: -131.932 flat angles P-C4'-P energy: -81.851 tors. eta vs tors. theta energy: -142.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1743.335245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.335245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.335245 (E_RNA) where: Base-Base interactions energy: -1139.016 where: short stacking energy: -506.699 Base-Backbone interact. energy: -1.211 local terms energy: -603.108844 where: bonds (distance) C4'-P energy: -139.948 bonds (distance) P-C4' energy: -136.221 flat angles C4'-P-C4' energy: -133.056 flat angles P-C4'-P energy: -78.322 tors. eta vs tors. theta energy: -115.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1384.724034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.724034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.724034 (E_RNA) where: Base-Base interactions energy: -855.538 where: short stacking energy: -427.610 Base-Backbone interact. energy: -0.751 local terms energy: -528.435380 where: bonds (distance) C4'-P energy: -117.226 bonds (distance) P-C4' energy: -150.625 flat angles C4'-P-C4' energy: -131.290 flat angles P-C4'-P energy: -72.850 tors. eta vs tors. theta energy: -56.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2913.060247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.060247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.060247 (E_RNA) where: Base-Base interactions energy: -2054.352 where: short stacking energy: -883.037 Base-Backbone interact. energy: -2.751 local terms energy: -855.957079 where: bonds (distance) C4'-P energy: -151.611 bonds (distance) P-C4' energy: -156.503 flat angles C4'-P-C4' energy: -192.436 flat angles P-C4'-P energy: -114.237 tors. eta vs tors. theta energy: -241.171 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: 194 Temperature: 0.950000 Total energy: -2872.415495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.415495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.415495 (E_RNA) where: Base-Base interactions energy: -2039.749 where: short stacking energy: -856.909 Base-Backbone interact. energy: -1.328 local terms energy: -831.339034 where: bonds (distance) C4'-P energy: -145.813 bonds (distance) P-C4' energy: -169.121 flat angles C4'-P-C4' energy: -182.304 flat angles P-C4'-P energy: -106.754 tors. eta vs tors. theta energy: -227.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2844.958010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.958010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.958010 (E_RNA) where: Base-Base interactions energy: -2017.496 where: short stacking energy: -822.632 Base-Backbone interact. energy: -5.788 local terms energy: -821.673116 where: bonds (distance) C4'-P energy: -150.985 bonds (distance) P-C4' energy: -150.859 flat angles C4'-P-C4' energy: -178.293 flat angles P-C4'-P energy: -110.135 tors. eta vs tors. theta energy: -231.402 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: 4, replica: 10 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2676.017837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.017837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.017837 (E_RNA) where: Base-Base interactions energy: -1898.533 where: short stacking energy: -770.688 Base-Backbone interact. energy: 4.665 local terms energy: -782.150017 where: bonds (distance) C4'-P energy: -141.647 bonds (distance) P-C4' energy: -145.262 flat angles C4'-P-C4' energy: -176.732 flat angles P-C4'-P energy: -115.685 tors. eta vs tors. theta energy: -202.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2474.574440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.574440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.574440 (E_RNA) where: Base-Base interactions energy: -1738.890 where: short stacking energy: -717.031 Base-Backbone interact. energy: -4.075 local terms energy: -731.609423 where: bonds (distance) C4'-P energy: -141.945 bonds (distance) P-C4' energy: -142.252 flat angles C4'-P-C4' energy: -175.715 flat angles P-C4'-P energy: -97.323 tors. eta vs tors. theta energy: -174.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2408.627826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.627826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.627826 (E_RNA) where: Base-Base interactions energy: -1704.784 where: short stacking energy: -745.383 Base-Backbone interact. energy: -0.110 local terms energy: -703.734138 where: bonds (distance) C4'-P energy: -129.093 bonds (distance) P-C4' energy: -141.265 flat angles C4'-P-C4' energy: -149.045 flat angles P-C4'-P energy: -87.297 tors. eta vs tors. theta energy: -197.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2205.075807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.075807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.075807 (E_RNA) where: Base-Base interactions energy: -1535.161 where: short stacking energy: -666.637 Base-Backbone interact. energy: -2.099 local terms energy: -667.815818 where: bonds (distance) C4'-P energy: -135.008 bonds (distance) P-C4' energy: -120.907 flat angles C4'-P-C4' energy: -151.630 flat angles P-C4'-P energy: -92.006 tors. eta vs tors. theta energy: -168.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1905.594253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.594253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.594253 (E_RNA) where: Base-Base interactions energy: -1273.220 where: short stacking energy: -569.240 Base-Backbone interact. energy: -1.286 local terms energy: -631.088164 where: bonds (distance) C4'-P energy: -134.402 bonds (distance) P-C4' energy: -121.728 flat angles C4'-P-C4' energy: -142.067 flat angles P-C4'-P energy: -95.060 tors. eta vs tors. theta energy: -137.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1681.336451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.336451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.336451 (E_RNA) where: Base-Base interactions energy: -1134.646 where: short stacking energy: -505.162 Base-Backbone interact. energy: 0.938 local terms energy: -547.628599 where: bonds (distance) C4'-P energy: -108.984 bonds (distance) P-C4' energy: -135.515 flat angles C4'-P-C4' energy: -133.133 flat angles P-C4'-P energy: -79.933 tors. eta vs tors. theta energy: -90.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1409.332475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.332475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.332475 (E_RNA) where: Base-Base interactions energy: -909.131 where: short stacking energy: -427.042 Base-Backbone interact. energy: -0.330 local terms energy: -499.871880 where: bonds (distance) C4'-P energy: -109.521 bonds (distance) P-C4' energy: -116.869 flat angles C4'-P-C4' energy: -118.378 flat angles P-C4'-P energy: -94.927 tors. eta vs tors. theta energy: -60.177 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: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2928.053564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.053564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.053564 (E_RNA) where: Base-Base interactions energy: -2074.215 where: short stacking energy: -896.963 Base-Backbone interact. energy: -4.601 local terms energy: -849.237952 where: bonds (distance) C4'-P energy: -143.587 bonds (distance) P-C4' energy: -168.952 flat angles C4'-P-C4' energy: -184.068 flat angles P-C4'-P energy: -113.772 tors. eta vs tors. theta energy: -238.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2893.320601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.320601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.320601 (E_RNA) where: Base-Base interactions energy: -2041.916 where: short stacking energy: -839.373 Base-Backbone interact. energy: -6.592 local terms energy: -844.812568 where: bonds (distance) C4'-P energy: -158.943 bonds (distance) P-C4' energy: -151.166 flat angles C4'-P-C4' energy: -188.850 flat angles P-C4'-P energy: -118.238 tors. eta vs tors. theta energy: -227.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2767.828885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.828885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.828885 (E_RNA) where: Base-Base interactions energy: -1951.532 where: short stacking energy: -831.160 Base-Backbone interact. energy: -0.497 local terms energy: -815.799360 where: bonds (distance) C4'-P energy: -144.200 bonds (distance) P-C4' energy: -155.270 flat angles C4'-P-C4' energy: -171.232 flat angles P-C4'-P energy: -124.975 tors. eta vs tors. theta energy: -220.123 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: 4, replica: 10 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2668.596575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.596575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.596575 (E_RNA) where: Base-Base interactions energy: -1878.431 where: short stacking energy: -755.757 Base-Backbone interact. energy: -5.924 local terms energy: -784.241312 where: bonds (distance) C4'-P energy: -152.584 bonds (distance) P-C4' energy: -147.386 flat angles C4'-P-C4' energy: -168.746 flat angles P-C4'-P energy: -114.610 tors. eta vs tors. theta energy: -200.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2517.366619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.366619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.366619 (E_RNA) where: Base-Base interactions energy: -1784.034 where: short stacking energy: -752.565 Base-Backbone interact. energy: 1.718 local terms energy: -735.050362 where: bonds (distance) C4'-P energy: -131.118 bonds (distance) P-C4' energy: -148.259 flat angles C4'-P-C4' energy: -174.716 flat angles P-C4'-P energy: -88.491 tors. eta vs tors. theta energy: -192.467 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: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2408.043769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.043769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.043769 (E_RNA) where: Base-Base interactions energy: -1678.390 where: short stacking energy: -709.466 Base-Backbone interact. energy: 0.874 local terms energy: -730.527338 where: bonds (distance) C4'-P energy: -143.355 bonds (distance) P-C4' energy: -136.439 flat angles C4'-P-C4' energy: -165.587 flat angles P-C4'-P energy: -94.040 tors. eta vs tors. theta energy: -191.106 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: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -2174.917105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.917105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.917105 (E_RNA) where: Base-Base interactions energy: -1509.074 where: short stacking energy: -648.193 Base-Backbone interact. energy: -5.822 local terms energy: -660.020978 where: bonds (distance) C4'-P energy: -128.836 bonds (distance) P-C4' energy: -152.787 flat angles C4'-P-C4' energy: -138.977 flat angles P-C4'-P energy: -91.555 tors. eta vs tors. theta energy: -147.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1713.791943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.791943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.791943 (E_RNA) where: Base-Base interactions energy: -1147.526 where: short stacking energy: -527.884 Base-Backbone interact. energy: 0.159 local terms energy: -566.424643 where: bonds (distance) C4'-P energy: -127.771 bonds (distance) P-C4' energy: -129.326 flat angles C4'-P-C4' energy: -118.943 flat angles P-C4'-P energy: -93.241 tors. eta vs tors. theta energy: -97.143 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: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1735.184118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.184118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.184118 (E_RNA) where: Base-Base interactions energy: -1196.753 where: short stacking energy: -493.127 Base-Backbone interact. energy: -0.223 local terms energy: -538.207521 where: bonds (distance) C4'-P energy: -137.256 bonds (distance) P-C4' energy: -153.913 flat angles C4'-P-C4' energy: -124.305 flat angles P-C4'-P energy: -40.339 tors. eta vs tors. theta energy: -82.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1462.850573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.850573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.850573 (E_RNA) where: Base-Base interactions energy: -946.810 where: short stacking energy: -419.978 Base-Backbone interact. energy: -3.160 local terms energy: -512.880414 where: bonds (distance) C4'-P energy: -134.325 bonds (distance) P-C4' energy: -148.781 flat angles C4'-P-C4' energy: -114.556 flat angles P-C4'-P energy: -57.030 tors. eta vs tors. theta energy: -58.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2928.288139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.288139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.288139 (E_RNA) where: Base-Base interactions energy: -2062.498 where: short stacking energy: -889.023 Base-Backbone interact. energy: 3.115 local terms energy: -868.904740 where: bonds (distance) C4'-P energy: -153.046 bonds (distance) P-C4' energy: -167.307 flat angles C4'-P-C4' energy: -193.353 flat angles P-C4'-P energy: -122.256 tors. eta vs tors. theta energy: -232.941 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: 196 Temperature: 0.950000 Total energy: -2843.431208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.431208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.431208 (E_RNA) where: Base-Base interactions energy: -2019.422 where: short stacking energy: -849.775 Base-Backbone interact. energy: 2.605 local terms energy: -826.613719 where: bonds (distance) C4'-P energy: -153.220 bonds (distance) P-C4' energy: -162.929 flat angles C4'-P-C4' energy: -171.226 flat angles P-C4'-P energy: -119.833 tors. eta vs tors. theta energy: -219.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2811.458221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.458221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.458221 (E_RNA) where: Base-Base interactions energy: -2002.857 where: short stacking energy: -824.213 Base-Backbone interact. energy: -4.026 local terms energy: -804.575694 where: bonds (distance) C4'-P energy: -134.555 bonds (distance) P-C4' energy: -153.060 flat angles C4'-P-C4' energy: -179.416 flat angles P-C4'-P energy: -121.006 tors. eta vs tors. theta energy: -216.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2702.682355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.682355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.682355 (E_RNA) where: Base-Base interactions energy: -1920.377 where: short stacking energy: -802.609 Base-Backbone interact. energy: -2.430 local terms energy: -779.875692 where: bonds (distance) C4'-P energy: -150.980 bonds (distance) P-C4' energy: -126.107 flat angles C4'-P-C4' energy: -173.893 flat angles P-C4'-P energy: -107.420 tors. eta vs tors. theta energy: -221.475 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: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2503.851043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.851043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.851043 (E_RNA) where: Base-Base interactions energy: -1777.900 where: short stacking energy: -760.245 Base-Backbone interact. energy: 3.904 local terms energy: -729.854227 where: bonds (distance) C4'-P energy: -117.982 bonds (distance) P-C4' energy: -137.002 flat angles C4'-P-C4' energy: -156.002 flat angles P-C4'-P energy: -120.656 tors. eta vs tors. theta energy: -198.213 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: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2431.504466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.504466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.504466 (E_RNA) where: Base-Base interactions energy: -1715.292 where: short stacking energy: -743.573 Base-Backbone interact. energy: -1.398 local terms energy: -714.814727 where: bonds (distance) C4'-P energy: -139.100 bonds (distance) P-C4' energy: -132.600 flat angles C4'-P-C4' energy: -153.221 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -192.747 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: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -2113.419178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.419178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.419178 (E_RNA) where: Base-Base interactions energy: -1452.091 where: short stacking energy: -626.664 Base-Backbone interact. energy: -3.491 local terms energy: -657.837017 where: bonds (distance) C4'-P energy: -145.281 bonds (distance) P-C4' energy: -131.210 flat angles C4'-P-C4' energy: -163.131 flat angles P-C4'-P energy: -91.452 tors. eta vs tors. theta energy: -126.763 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: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1868.204233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.204233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.204233 (E_RNA) where: Base-Base interactions energy: -1257.861 where: short stacking energy: -585.095 Base-Backbone interact. energy: -0.144 local terms energy: -610.199428 where: bonds (distance) C4'-P energy: -126.262 bonds (distance) P-C4' energy: -128.042 flat angles C4'-P-C4' energy: -140.910 flat angles P-C4'-P energy: -83.016 tors. eta vs tors. theta energy: -131.969 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: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1757.242010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.242010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.242010 (E_RNA) where: Base-Base interactions energy: -1196.408 where: short stacking energy: -491.936 Base-Backbone interact. energy: -4.162 local terms energy: -556.671890 where: bonds (distance) C4'-P energy: -122.162 bonds (distance) P-C4' energy: -128.142 flat angles C4'-P-C4' energy: -128.829 flat angles P-C4'-P energy: -69.601 tors. eta vs tors. theta energy: -107.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1491.516359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.516359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.516359 (E_RNA) where: Base-Base interactions energy: -970.934 where: short stacking energy: -438.954 Base-Backbone interact. energy: -3.849 local terms energy: -516.733391 where: bonds (distance) C4'-P energy: -116.911 bonds (distance) P-C4' energy: -146.005 flat angles C4'-P-C4' energy: -113.096 flat angles P-C4'-P energy: -81.001 tors. eta vs tors. theta energy: -59.720 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: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2925.747061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.747061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.747061 (E_RNA) where: Base-Base interactions energy: -2073.506 where: short stacking energy: -874.749 Base-Backbone interact. energy: 4.701 local terms energy: -856.941583 where: bonds (distance) C4'-P energy: -163.273 bonds (distance) P-C4' energy: -162.635 flat angles C4'-P-C4' energy: -184.903 flat angles P-C4'-P energy: -110.841 tors. eta vs tors. theta energy: -235.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2884.197435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.197435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.197435 (E_RNA) where: Base-Base interactions energy: -2037.525 where: short stacking energy: -855.698 Base-Backbone interact. energy: -6.419 local terms energy: -840.252742 where: bonds (distance) C4'-P energy: -166.230 bonds (distance) P-C4' energy: -156.932 flat angles C4'-P-C4' energy: -179.482 flat angles P-C4'-P energy: -112.043 tors. eta vs tors. theta energy: -225.565 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: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2778.253560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.253560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.253560 (E_RNA) where: Base-Base interactions energy: -1999.445 where: short stacking energy: -836.107 Base-Backbone interact. energy: -1.295 local terms energy: -777.513456 where: bonds (distance) C4'-P energy: -126.573 bonds (distance) P-C4' energy: -142.990 flat angles C4'-P-C4' energy: -179.573 flat angles P-C4'-P energy: -122.702 tors. eta vs tors. theta energy: -205.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2643.891642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.891642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.891642 (E_RNA) where: Base-Base interactions energy: -1857.105 where: short stacking energy: -782.635 Base-Backbone interact. energy: -2.442 local terms energy: -784.344984 where: bonds (distance) C4'-P energy: -147.667 bonds (distance) P-C4' energy: -156.852 flat angles C4'-P-C4' energy: -168.747 flat angles P-C4'-P energy: -116.414 tors. eta vs tors. theta energy: -194.665 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: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2525.549538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.549538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.549538 (E_RNA) where: Base-Base interactions energy: -1815.083 where: short stacking energy: -754.165 Base-Backbone interact. energy: 4.103 local terms energy: -714.570037 where: bonds (distance) C4'-P energy: -141.469 bonds (distance) P-C4' energy: -135.306 flat angles C4'-P-C4' energy: -159.625 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -184.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2372.693464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.693464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.693464 (E_RNA) where: Base-Base interactions energy: -1687.099 where: short stacking energy: -714.167 Base-Backbone interact. energy: -1.493 local terms energy: -684.101973 where: bonds (distance) C4'-P energy: -112.969 bonds (distance) P-C4' energy: -134.048 flat angles C4'-P-C4' energy: -153.727 flat angles P-C4'-P energy: -109.675 tors. eta vs tors. theta energy: -173.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -2150.803749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.803749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.803749 (E_RNA) where: Base-Base interactions energy: -1476.821 where: short stacking energy: -611.112 Base-Backbone interact. energy: -0.644 local terms energy: -673.338429 where: bonds (distance) C4'-P energy: -132.503 bonds (distance) P-C4' energy: -144.406 flat angles C4'-P-C4' energy: -153.829 flat angles P-C4'-P energy: -90.389 tors. eta vs tors. theta energy: -152.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1856.338636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.338636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.338636 (E_RNA) where: Base-Base interactions energy: -1280.663 where: short stacking energy: -591.468 Base-Backbone interact. energy: 2.118 local terms energy: -577.793820 where: bonds (distance) C4'-P energy: -120.345 bonds (distance) P-C4' energy: -134.248 flat angles C4'-P-C4' energy: -124.815 flat angles P-C4'-P energy: -67.315 tors. eta vs tors. theta energy: -131.070 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: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1802.494531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.494531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.494531 (E_RNA) where: Base-Base interactions energy: -1237.593 where: short stacking energy: -500.103 Base-Backbone interact. energy: 2.110 local terms energy: -567.012014 where: bonds (distance) C4'-P energy: -118.033 bonds (distance) P-C4' energy: -126.475 flat angles C4'-P-C4' energy: -138.245 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: -107.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1400.523105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.523105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.523105 (E_RNA) where: Base-Base interactions energy: -900.899 where: short stacking energy: -406.276 Base-Backbone interact. energy: 2.457 local terms energy: -502.081389 where: bonds (distance) C4'-P energy: -106.817 bonds (distance) P-C4' energy: -136.720 flat angles C4'-P-C4' energy: -115.141 flat angles P-C4'-P energy: -81.048 tors. eta vs tors. theta energy: -62.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2956.644975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.644975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.644975 (E_RNA) where: Base-Base interactions energy: -2081.437 where: short stacking energy: -888.408 Base-Backbone interact. energy: -2.830 local terms energy: -872.377438 where: bonds (distance) C4'-P energy: -157.842 bonds (distance) P-C4' energy: -165.124 flat angles C4'-P-C4' energy: -184.569 flat angles P-C4'-P energy: -122.258 tors. eta vs tors. theta energy: -242.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2906.856009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.856009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.856009 (E_RNA) where: Base-Base interactions energy: -2078.041 where: short stacking energy: -852.149 Base-Backbone interact. energy: -5.992 local terms energy: -822.822823 where: bonds (distance) C4'-P energy: -148.834 bonds (distance) P-C4' energy: -150.931 flat angles C4'-P-C4' energy: -186.207 flat angles P-C4'-P energy: -116.336 tors. eta vs tors. theta energy: -220.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2751.350002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.350002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.350002 (E_RNA) where: Base-Base interactions energy: -1962.000 where: short stacking energy: -836.164 Base-Backbone interact. energy: -2.418 local terms energy: -786.931592 where: bonds (distance) C4'-P energy: -133.889 bonds (distance) P-C4' energy: -151.101 flat angles C4'-P-C4' energy: -167.013 flat angles P-C4'-P energy: -120.142 tors. eta vs tors. theta energy: -214.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2629.420026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.420026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.420026 (E_RNA) where: Base-Base interactions energy: -1815.108 where: short stacking energy: -802.913 Base-Backbone interact. energy: -1.325 local terms energy: -812.986667 where: bonds (distance) C4'-P energy: -133.094 bonds (distance) P-C4' energy: -157.194 flat angles C4'-P-C4' energy: -177.648 flat angles P-C4'-P energy: -126.751 tors. eta vs tors. theta energy: -218.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2575.014210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.014210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.014210 (E_RNA) where: Base-Base interactions energy: -1851.170 where: short stacking energy: -755.299 Base-Backbone interact. energy: -2.199 local terms energy: -721.644933 where: bonds (distance) C4'-P energy: -138.203 bonds (distance) P-C4' energy: -134.885 flat angles C4'-P-C4' energy: -159.085 flat angles P-C4'-P energy: -100.399 tors. eta vs tors. theta energy: -189.073 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: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2378.364954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.364954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.364954 (E_RNA) where: Base-Base interactions energy: -1649.455 where: short stacking energy: -707.434 Base-Backbone interact. energy: 1.548 local terms energy: -730.458441 where: bonds (distance) C4'-P energy: -139.522 bonds (distance) P-C4' energy: -140.980 flat angles C4'-P-C4' energy: -175.827 flat angles P-C4'-P energy: -86.624 tors. eta vs tors. theta energy: -187.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2124.705626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.705626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.705626 (E_RNA) where: Base-Base interactions energy: -1429.088 where: short stacking energy: -650.184 Base-Backbone interact. energy: -2.521 local terms energy: -693.095822 where: bonds (distance) C4'-P energy: -143.002 bonds (distance) P-C4' energy: -137.970 flat angles C4'-P-C4' energy: -146.163 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -160.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1926.600622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.600622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.600622 (E_RNA) where: Base-Base interactions energy: -1327.164 where: short stacking energy: -573.002 Base-Backbone interact. energy: -2.188 local terms energy: -597.249113 where: bonds (distance) C4'-P energy: -120.267 bonds (distance) P-C4' energy: -119.551 flat angles C4'-P-C4' energy: -129.795 flat angles P-C4'-P energy: -90.893 tors. eta vs tors. theta energy: -136.742 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: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1771.381801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.381801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.381801 (E_RNA) where: Base-Base interactions energy: -1172.454 where: short stacking energy: -498.772 Base-Backbone interact. energy: -1.767 local terms energy: -597.160218 where: bonds (distance) C4'-P energy: -132.673 bonds (distance) P-C4' energy: -119.933 flat angles C4'-P-C4' energy: -150.599 flat angles P-C4'-P energy: -83.274 tors. eta vs tors. theta energy: -110.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1420.121471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.121471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.121471 (E_RNA) where: Base-Base interactions energy: -901.893 where: short stacking energy: -438.887 Base-Backbone interact. energy: -3.778 local terms energy: -514.450633 where: bonds (distance) C4'-P energy: -107.724 bonds (distance) P-C4' energy: -149.413 flat angles C4'-P-C4' energy: -136.929 flat angles P-C4'-P energy: -59.641 tors. eta vs tors. theta energy: -60.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2937.361364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.361364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.361364 (E_RNA) where: Base-Base interactions energy: -2068.132 where: short stacking energy: -871.399 Base-Backbone interact. energy: -4.528 local terms energy: -864.701095 where: bonds (distance) C4'-P energy: -166.527 bonds (distance) P-C4' energy: -160.008 flat angles C4'-P-C4' energy: -184.434 flat angles P-C4'-P energy: -126.245 tors. eta vs tors. theta energy: -227.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2867.843360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.843360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.843360 (E_RNA) where: Base-Base interactions energy: -2049.972 where: short stacking energy: -846.432 Base-Backbone interact. energy: -1.305 local terms energy: -816.566180 where: bonds (distance) C4'-P energy: -164.609 bonds (distance) P-C4' energy: -151.458 flat angles C4'-P-C4' energy: -180.831 flat angles P-C4'-P energy: -109.906 tors. eta vs tors. theta energy: -209.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2741.096237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.096237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.096237 (E_RNA) where: Base-Base interactions energy: -1937.881 where: short stacking energy: -804.251 Base-Backbone interact. energy: -2.478 local terms energy: -800.736956 where: bonds (distance) C4'-P energy: -151.796 bonds (distance) P-C4' energy: -165.626 flat angles C4'-P-C4' energy: -171.429 flat angles P-C4'-P energy: -112.682 tors. eta vs tors. theta energy: -199.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2606.058101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.058101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.058101 (E_RNA) where: Base-Base interactions energy: -1854.181 where: short stacking energy: -761.658 Base-Backbone interact. energy: -5.404 local terms energy: -746.473203 where: bonds (distance) C4'-P energy: -143.784 bonds (distance) P-C4' energy: -148.752 flat angles C4'-P-C4' energy: -164.567 flat angles P-C4'-P energy: -107.113 tors. eta vs tors. theta energy: -182.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2557.490745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.490745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.490745 (E_RNA) where: Base-Base interactions energy: -1820.898 where: short stacking energy: -761.039 Base-Backbone interact. energy: -3.703 local terms energy: -732.889626 where: bonds (distance) C4'-P energy: -135.860 bonds (distance) P-C4' energy: -135.136 flat angles C4'-P-C4' energy: -155.535 flat angles P-C4'-P energy: -116.724 tors. eta vs tors. theta energy: -189.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2394.230015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.230015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.230015 (E_RNA) where: Base-Base interactions energy: -1664.041 where: short stacking energy: -686.123 Base-Backbone interact. energy: -1.283 local terms energy: -728.906305 where: bonds (distance) C4'-P energy: -122.603 bonds (distance) P-C4' energy: -148.663 flat angles C4'-P-C4' energy: -167.705 flat angles P-C4'-P energy: -105.768 tors. eta vs tors. theta energy: -184.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2094.104971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.104971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.104971 (E_RNA) where: Base-Base interactions energy: -1464.399 where: short stacking energy: -647.586 Base-Backbone interact. energy: 2.754 local terms energy: -632.459679 where: bonds (distance) C4'-P energy: -120.493 bonds (distance) P-C4' energy: -130.049 flat angles C4'-P-C4' energy: -150.812 flat angles P-C4'-P energy: -89.700 tors. eta vs tors. theta energy: -141.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1932.610901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.610901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.610901 (E_RNA) where: Base-Base interactions energy: -1344.320 where: short stacking energy: -587.850 Base-Backbone interact. energy: -2.147 local terms energy: -586.144586 where: bonds (distance) C4'-P energy: -114.178 bonds (distance) P-C4' energy: -118.476 flat angles C4'-P-C4' energy: -141.270 flat angles P-C4'-P energy: -91.174 tors. eta vs tors. theta energy: -121.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1700.733129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.733129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.733129 (E_RNA) where: Base-Base interactions energy: -1157.487 where: short stacking energy: -521.178 Base-Backbone interact. energy: 0.894 local terms energy: -544.139751 where: bonds (distance) C4'-P energy: -132.465 bonds (distance) P-C4' energy: -108.985 flat angles C4'-P-C4' energy: -132.878 flat angles P-C4'-P energy: -76.736 tors. eta vs tors. theta energy: -93.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1359.982301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.982301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.982301 (E_RNA) where: Base-Base interactions energy: -866.190 where: short stacking energy: -389.466 Base-Backbone interact. energy: 5.233 local terms energy: -499.024937 where: bonds (distance) C4'-P energy: -129.943 bonds (distance) P-C4' energy: -133.459 flat angles C4'-P-C4' energy: -123.538 flat angles P-C4'-P energy: -75.942 tors. eta vs tors. theta energy: -36.143 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: 2 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2938.793645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.793645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.793645 (E_RNA) where: Base-Base interactions energy: -2096.238 where: short stacking energy: -872.265 Base-Backbone interact. energy: -3.891 local terms energy: -838.664133 where: bonds (distance) C4'-P energy: -141.339 bonds (distance) P-C4' energy: -164.859 flat angles C4'-P-C4' energy: -192.961 flat angles P-C4'-P energy: -111.973 tors. eta vs tors. theta energy: -227.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2881.357366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.357366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.357366 (E_RNA) where: Base-Base interactions energy: -2005.819 where: short stacking energy: -848.659 Base-Backbone interact. energy: -5.181 local terms energy: -870.357242 where: bonds (distance) C4'-P energy: -167.823 bonds (distance) P-C4' energy: -169.668 flat angles C4'-P-C4' energy: -179.627 flat angles P-C4'-P energy: -128.561 tors. eta vs tors. theta energy: -224.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2776.849607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.849607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.849607 (E_RNA) where: Base-Base interactions energy: -1982.108 where: short stacking energy: -841.408 Base-Backbone interact. energy: -2.718 local terms energy: -792.022902 where: bonds (distance) C4'-P energy: -124.355 bonds (distance) P-C4' energy: -155.881 flat angles C4'-P-C4' energy: -170.222 flat angles P-C4'-P energy: -118.333 tors. eta vs tors. theta energy: -223.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2606.395913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.395913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.395913 (E_RNA) where: Base-Base interactions energy: -1843.417 where: short stacking energy: -735.025 Base-Backbone interact. energy: -5.552 local terms energy: -757.426271 where: bonds (distance) C4'-P energy: -141.652 bonds (distance) P-C4' energy: -166.956 flat angles C4'-P-C4' energy: -164.553 flat angles P-C4'-P energy: -101.670 tors. eta vs tors. theta energy: -182.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2577.464560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.464560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.464560 (E_RNA) where: Base-Base interactions energy: -1809.998 where: short stacking energy: -785.832 Base-Backbone interact. energy: -2.654 local terms energy: -764.812764 where: bonds (distance) C4'-P energy: -137.390 bonds (distance) P-C4' energy: -136.526 flat angles C4'-P-C4' energy: -172.264 flat angles P-C4'-P energy: -112.267 tors. eta vs tors. theta energy: -206.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2385.237637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.237637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.237637 (E_RNA) where: Base-Base interactions energy: -1695.345 where: short stacking energy: -708.809 Base-Backbone interact. energy: -1.081 local terms energy: -688.811360 where: bonds (distance) C4'-P energy: -125.280 bonds (distance) P-C4' energy: -136.495 flat angles C4'-P-C4' energy: -168.735 flat angles P-C4'-P energy: -81.325 tors. eta vs tors. theta energy: -176.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2087.577038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.577038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.577038 (E_RNA) where: Base-Base interactions energy: -1461.160 where: short stacking energy: -599.624 Base-Backbone interact. energy: -2.186 local terms energy: -624.231670 where: bonds (distance) C4'-P energy: -121.510 bonds (distance) P-C4' energy: -137.652 flat angles C4'-P-C4' energy: -153.642 flat angles P-C4'-P energy: -104.829 tors. eta vs tors. theta energy: -106.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1972.016591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.016591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.016591 (E_RNA) where: Base-Base interactions energy: -1333.142 where: short stacking energy: -584.643 Base-Backbone interact. energy: -0.139 local terms energy: -638.735959 where: bonds (distance) C4'-P energy: -121.554 bonds (distance) P-C4' energy: -146.383 flat angles C4'-P-C4' energy: -144.937 flat angles P-C4'-P energy: -98.410 tors. eta vs tors. theta energy: -127.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1754.447077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.447077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.447077 (E_RNA) where: Base-Base interactions energy: -1180.479 where: short stacking energy: -500.989 Base-Backbone interact. energy: -1.294 local terms energy: -572.673530 where: bonds (distance) C4'-P energy: -137.833 bonds (distance) P-C4' energy: -120.115 flat angles C4'-P-C4' energy: -142.182 flat angles P-C4'-P energy: -71.352 tors. eta vs tors. theta energy: -101.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1409.777365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.777365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.777365 (E_RNA) where: Base-Base interactions energy: -935.080 where: short stacking energy: -420.469 Base-Backbone interact. energy: -5.546 local terms energy: -469.150913 where: bonds (distance) C4'-P energy: -105.890 bonds (distance) P-C4' energy: -132.519 flat angles C4'-P-C4' energy: -126.152 flat angles P-C4'-P energy: -65.191 tors. eta vs tors. theta energy: -39.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2928.642348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.642348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.642348 (E_RNA) where: Base-Base interactions energy: -2075.120 where: short stacking energy: -861.055 Base-Backbone interact. energy: -2.407 local terms energy: -851.115136 where: bonds (distance) C4'-P energy: -156.769 bonds (distance) P-C4' energy: -170.018 flat angles C4'-P-C4' energy: -182.116 flat angles P-C4'-P energy: -120.279 tors. eta vs tors. theta energy: -221.932 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: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2851.884299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.884299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.884299 (E_RNA) where: Base-Base interactions energy: -2024.905 where: short stacking energy: -869.527 Base-Backbone interact. energy: -0.640 local terms energy: -826.339171 where: bonds (distance) C4'-P energy: -137.780 bonds (distance) P-C4' energy: -155.062 flat angles C4'-P-C4' energy: -178.481 flat angles P-C4'-P energy: -129.158 tors. eta vs tors. theta energy: -225.859 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: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2796.482187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.482187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.482187 (E_RNA) where: Base-Base interactions energy: -1963.041 where: short stacking energy: -827.849 Base-Backbone interact. energy: -7.786 local terms energy: -825.654358 where: bonds (distance) C4'-P energy: -152.837 bonds (distance) P-C4' energy: -160.860 flat angles C4'-P-C4' energy: -177.173 flat angles P-C4'-P energy: -109.343 tors. eta vs tors. theta energy: -225.441 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: 201 Temperature: 1.050000 Total energy: -2598.534520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.534520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.534520 (E_RNA) where: Base-Base interactions energy: -1837.957 where: short stacking energy: -781.110 Base-Backbone interact. energy: -4.067 local terms energy: -756.511400 where: bonds (distance) C4'-P energy: -157.225 bonds (distance) P-C4' energy: -133.753 flat angles C4'-P-C4' energy: -163.320 flat angles P-C4'-P energy: -107.604 tors. eta vs tors. theta energy: -194.610 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: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2594.826655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.826655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.826655 (E_RNA) where: Base-Base interactions energy: -1838.703 where: short stacking energy: -771.512 Base-Backbone interact. energy: -0.314 local terms energy: -755.809863 where: bonds (distance) C4'-P energy: -132.635 bonds (distance) P-C4' energy: -137.664 flat angles C4'-P-C4' energy: -165.601 flat angles P-C4'-P energy: -103.750 tors. eta vs tors. theta energy: -216.161 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: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2400.611006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.611006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.611006 (E_RNA) where: Base-Base interactions energy: -1688.240 where: short stacking energy: -714.034 Base-Backbone interact. energy: -3.673 local terms energy: -708.698616 where: bonds (distance) C4'-P energy: -130.778 bonds (distance) P-C4' energy: -129.658 flat angles C4'-P-C4' energy: -162.741 flat angles P-C4'-P energy: -97.923 tors. eta vs tors. theta energy: -187.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -2136.031365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.031365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.031365 (E_RNA) where: Base-Base interactions energy: -1469.372 where: short stacking energy: -612.223 Base-Backbone interact. energy: 0.028 local terms energy: -666.687713 where: bonds (distance) C4'-P energy: -130.118 bonds (distance) P-C4' energy: -142.884 flat angles C4'-P-C4' energy: -148.829 flat angles P-C4'-P energy: -104.966 tors. eta vs tors. theta energy: -139.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1959.312664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.312664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.312664 (E_RNA) where: Base-Base interactions energy: -1346.068 where: short stacking energy: -604.540 Base-Backbone interact. energy: -0.861 local terms energy: -612.384033 where: bonds (distance) C4'-P energy: -116.101 bonds (distance) P-C4' energy: -137.526 flat angles C4'-P-C4' energy: -136.093 flat angles P-C4'-P energy: -80.263 tors. eta vs tors. theta energy: -142.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1718.511016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.511016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.511016 (E_RNA) where: Base-Base interactions energy: -1197.455 where: short stacking energy: -502.371 Base-Backbone interact. energy: 0.443 local terms energy: -521.498946 where: bonds (distance) C4'-P energy: -115.725 bonds (distance) P-C4' energy: -118.562 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -83.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1430.289382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.289382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.289382 (E_RNA) where: Base-Base interactions energy: -934.166 where: short stacking energy: -398.011 Base-Backbone interact. energy: -2.504 local terms energy: -493.619955 where: bonds (distance) C4'-P energy: -114.277 bonds (distance) P-C4' energy: -139.958 flat angles C4'-P-C4' energy: -131.118 flat angles P-C4'-P energy: -68.566 tors. eta vs tors. theta energy: -39.701 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: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2897.543958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.543958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.543958 (E_RNA) where: Base-Base interactions energy: -2043.719 where: short stacking energy: -898.801 Base-Backbone interact. energy: -4.411 local terms energy: -849.413824 where: bonds (distance) C4'-P energy: -142.203 bonds (distance) P-C4' energy: -145.629 flat angles C4'-P-C4' energy: -188.125 flat angles P-C4'-P energy: -133.791 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: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2858.981602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.981602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.981602 (E_RNA) where: Base-Base interactions energy: -2033.062 where: short stacking energy: -875.780 Base-Backbone interact. energy: -4.518 local terms energy: -821.402312 where: bonds (distance) C4'-P energy: -152.740 bonds (distance) P-C4' energy: -147.825 flat angles C4'-P-C4' energy: -179.308 flat angles P-C4'-P energy: -119.453 tors. eta vs tors. theta energy: -222.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2804.709422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.709422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.709422 (E_RNA) where: Base-Base interactions energy: -1992.046 where: short stacking energy: -839.843 Base-Backbone interact. energy: -2.078 local terms energy: -810.584664 where: bonds (distance) C4'-P energy: -147.854 bonds (distance) P-C4' energy: -150.426 flat angles C4'-P-C4' energy: -173.799 flat angles P-C4'-P energy: -113.967 tors. eta vs tors. theta energy: -224.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2594.020023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.020023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.020023 (E_RNA) where: Base-Base interactions energy: -1865.733 where: short stacking energy: -762.427 Base-Backbone interact. energy: -2.701 local terms energy: -725.585971 where: bonds (distance) C4'-P energy: -128.901 bonds (distance) P-C4' energy: -137.874 flat angles C4'-P-C4' energy: -163.022 flat angles P-C4'-P energy: -99.514 tors. eta vs tors. theta energy: -196.275 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: 202 Temperature: 1.100000 Total energy: -2590.309451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.309451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.309451 (E_RNA) where: Base-Base interactions energy: -1813.315 where: short stacking energy: -750.646 Base-Backbone interact. energy: -2.467 local terms energy: -774.527174 where: bonds (distance) C4'-P energy: -135.623 bonds (distance) P-C4' energy: -161.315 flat angles C4'-P-C4' energy: -164.581 flat angles P-C4'-P energy: -105.680 tors. eta vs tors. theta energy: -207.327 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: 202 Temperature: 1.150000 Total energy: -2374.801954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.801954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.801954 (E_RNA) where: Base-Base interactions energy: -1674.490 where: short stacking energy: -714.881 Base-Backbone interact. energy: 4.081 local terms energy: -704.393487 where: bonds (distance) C4'-P energy: -129.572 bonds (distance) P-C4' energy: -146.058 flat angles C4'-P-C4' energy: -155.015 flat angles P-C4'-P energy: -109.254 tors. eta vs tors. theta energy: -164.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2140.743925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.743925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.743925 (E_RNA) where: Base-Base interactions energy: -1465.243 where: short stacking energy: -626.061 Base-Backbone interact. energy: -0.891 local terms energy: -674.609054 where: bonds (distance) C4'-P energy: -135.024 bonds (distance) P-C4' energy: -136.881 flat angles C4'-P-C4' energy: -147.979 flat angles P-C4'-P energy: -101.521 tors. eta vs tors. theta energy: -153.205 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: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1951.985893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.985893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.985893 (E_RNA) where: Base-Base interactions energy: -1354.261 where: short stacking energy: -572.485 Base-Backbone interact. energy: 0.968 local terms energy: -598.692309 where: bonds (distance) C4'-P energy: -109.356 bonds (distance) P-C4' energy: -127.295 flat angles C4'-P-C4' energy: -143.318 flat angles P-C4'-P energy: -86.469 tors. eta vs tors. theta energy: -132.254 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: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1539.066751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.066751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.066751 (E_RNA) where: Base-Base interactions energy: -1010.736 where: short stacking energy: -439.295 Base-Backbone interact. energy: 1.458 local terms energy: -529.789075 where: bonds (distance) C4'-P energy: -121.833 bonds (distance) P-C4' energy: -123.737 flat angles C4'-P-C4' energy: -110.102 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -85.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1480.136616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.136616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.136616 (E_RNA) where: Base-Base interactions energy: -945.479 where: short stacking energy: -400.796 Base-Backbone interact. energy: -2.378 local terms energy: -532.279677 where: bonds (distance) C4'-P energy: -138.959 bonds (distance) P-C4' energy: -133.150 flat angles C4'-P-C4' energy: -124.609 flat angles P-C4'-P energy: -57.249 tors. eta vs tors. theta energy: -78.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2917.353725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.353725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.353725 (E_RNA) where: Base-Base interactions energy: -2047.411 where: short stacking energy: -896.159 Base-Backbone interact. energy: 0.424 local terms energy: -870.366796 where: bonds (distance) C4'-P energy: -165.036 bonds (distance) P-C4' energy: -155.341 flat angles C4'-P-C4' energy: -183.750 flat angles P-C4'-P energy: -120.597 tors. eta vs tors. theta energy: -245.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2873.479839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.479839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.479839 (E_RNA) where: Base-Base interactions energy: -2064.255 where: short stacking energy: -867.088 Base-Backbone interact. energy: 2.765 local terms energy: -811.990212 where: bonds (distance) C4'-P energy: -148.457 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -179.992 flat angles P-C4'-P energy: -112.255 tors. eta vs tors. theta energy: -219.899 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: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2723.607206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.607206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.607206 (E_RNA) where: Base-Base interactions energy: -1914.695 where: short stacking energy: -810.739 Base-Backbone interact. energy: -5.282 local terms energy: -803.629749 where: bonds (distance) C4'-P energy: -146.631 bonds (distance) P-C4' energy: -151.128 flat angles C4'-P-C4' energy: -176.865 flat angles P-C4'-P energy: -116.123 tors. eta vs tors. theta energy: -212.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2636.695307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.695307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.695307 (E_RNA) where: Base-Base interactions energy: -1879.420 where: short stacking energy: -794.719 Base-Backbone interact. energy: -4.244 local terms energy: -753.031554 where: bonds (distance) C4'-P energy: -134.050 bonds (distance) P-C4' energy: -153.683 flat angles C4'-P-C4' energy: -161.065 flat angles P-C4'-P energy: -105.265 tors. eta vs tors. theta energy: -198.968 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: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2515.236521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.236521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.236521 (E_RNA) where: Base-Base interactions energy: -1771.834 where: short stacking energy: -743.082 Base-Backbone interact. energy: -3.214 local terms energy: -740.187946 where: bonds (distance) C4'-P energy: -147.169 bonds (distance) P-C4' energy: -148.198 flat angles C4'-P-C4' energy: -163.446 flat angles P-C4'-P energy: -95.454 tors. eta vs tors. theta energy: -185.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2363.570415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.570415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.570415 (E_RNA) where: Base-Base interactions energy: -1660.884 where: short stacking energy: -703.490 Base-Backbone interact. energy: -3.320 local terms energy: -699.367101 where: bonds (distance) C4'-P energy: -134.151 bonds (distance) P-C4' energy: -131.612 flat angles C4'-P-C4' energy: -169.253 flat angles P-C4'-P energy: -100.652 tors. eta vs tors. theta energy: -163.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -2180.539257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.539257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.539257 (E_RNA) where: Base-Base interactions energy: -1527.166 where: short stacking energy: -619.565 Base-Backbone interact. energy: -2.125 local terms energy: -651.247700 where: bonds (distance) C4'-P energy: -108.233 bonds (distance) P-C4' energy: -138.865 flat angles C4'-P-C4' energy: -162.706 flat angles P-C4'-P energy: -106.325 tors. eta vs tors. theta energy: -135.118 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: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1918.736332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.736332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.736332 (E_RNA) where: Base-Base interactions energy: -1312.817 where: short stacking energy: -570.738 Base-Backbone interact. energy: -3.349 local terms energy: -602.569802 where: bonds (distance) C4'-P energy: -115.787 bonds (distance) P-C4' energy: -146.703 flat angles C4'-P-C4' energy: -126.283 flat angles P-C4'-P energy: -94.973 tors. eta vs tors. theta energy: -118.823 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: 8 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1528.174075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.174075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.174075 (E_RNA) where: Base-Base interactions energy: -1015.505 where: short stacking energy: -459.097 Base-Backbone interact. energy: 4.575 local terms energy: -517.243901 where: bonds (distance) C4'-P energy: -119.345 bonds (distance) P-C4' energy: -111.361 flat angles C4'-P-C4' energy: -119.541 flat angles P-C4'-P energy: -91.496 tors. eta vs tors. theta energy: -75.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1439.203687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.203687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.203687 (E_RNA) where: Base-Base interactions energy: -954.254 where: short stacking energy: -444.949 Base-Backbone interact. energy: 2.989 local terms energy: -487.938839 where: bonds (distance) C4'-P energy: -106.259 bonds (distance) P-C4' energy: -139.057 flat angles C4'-P-C4' energy: -121.260 flat angles P-C4'-P energy: -61.785 tors. eta vs tors. theta energy: -59.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2934.522846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.522846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.522846 (E_RNA) where: Base-Base interactions energy: -2073.877 where: short stacking energy: -893.512 Base-Backbone interact. energy: -6.968 local terms energy: -853.677808 where: bonds (distance) C4'-P energy: -145.627 bonds (distance) P-C4' energy: -150.316 flat angles C4'-P-C4' energy: -187.156 flat angles P-C4'-P energy: -130.577 tors. eta vs tors. theta energy: -240.002 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: 204 Temperature: 0.950000 Total energy: -2822.108570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.108570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.108570 (E_RNA) where: Base-Base interactions energy: -2019.216 where: short stacking energy: -818.146 Base-Backbone interact. energy: -1.859 local terms energy: -801.033531 where: bonds (distance) C4'-P energy: -160.499 bonds (distance) P-C4' energy: -150.455 flat angles C4'-P-C4' energy: -164.060 flat angles P-C4'-P energy: -117.597 tors. eta vs tors. theta energy: -208.422 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: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2744.139657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.139657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.139657 (E_RNA) where: Base-Base interactions energy: -1922.785 where: short stacking energy: -811.388 Base-Backbone interact. energy: -3.535 local terms energy: -817.819980 where: bonds (distance) C4'-P energy: -146.328 bonds (distance) P-C4' energy: -169.235 flat angles C4'-P-C4' energy: -173.744 flat angles P-C4'-P energy: -120.226 tors. eta vs tors. theta energy: -208.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2692.621120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.621120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.621120 (E_RNA) where: Base-Base interactions energy: -1871.027 where: short stacking energy: -811.401 Base-Backbone interact. energy: -3.089 local terms energy: -818.504895 where: bonds (distance) C4'-P energy: -144.141 bonds (distance) P-C4' energy: -157.429 flat angles C4'-P-C4' energy: -170.955 flat angles P-C4'-P energy: -118.967 tors. eta vs tors. theta energy: -227.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2582.807919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.807919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.807919 (E_RNA) where: Base-Base interactions energy: -1837.012 where: short stacking energy: -794.295 Base-Backbone interact. energy: -4.484 local terms energy: -741.311165 where: bonds (distance) C4'-P energy: -135.283 bonds (distance) P-C4' energy: -129.769 flat angles C4'-P-C4' energy: -171.238 flat angles P-C4'-P energy: -109.515 tors. eta vs tors. theta energy: -195.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2307.462197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.462197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.462197 (E_RNA) where: Base-Base interactions energy: -1610.803 where: short stacking energy: -689.409 Base-Backbone interact. energy: 1.371 local terms energy: -698.030935 where: bonds (distance) C4'-P energy: -140.771 bonds (distance) P-C4' energy: -139.081 flat angles C4'-P-C4' energy: -156.399 flat angles P-C4'-P energy: -95.113 tors. eta vs tors. theta energy: -166.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2185.927471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.927471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.927471 (E_RNA) where: Base-Base interactions energy: -1543.770 where: short stacking energy: -654.793 Base-Backbone interact. energy: 0.793 local terms energy: -642.950220 where: bonds (distance) C4'-P energy: -149.500 bonds (distance) P-C4' energy: -139.825 flat angles C4'-P-C4' energy: -139.592 flat angles P-C4'-P energy: -75.442 tors. eta vs tors. theta energy: -138.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1922.750164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.750164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.750164 (E_RNA) where: Base-Base interactions energy: -1316.001 where: short stacking energy: -559.083 Base-Backbone interact. energy: -1.741 local terms energy: -605.007504 where: bonds (distance) C4'-P energy: -134.421 bonds (distance) P-C4' energy: -106.609 flat angles C4'-P-C4' energy: -160.386 flat angles P-C4'-P energy: -86.108 tors. eta vs tors. theta energy: -117.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1546.816149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.816149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.816149 (E_RNA) where: Base-Base interactions energy: -967.899 where: short stacking energy: -444.583 Base-Backbone interact. energy: -3.057 local terms energy: -575.860101 where: bonds (distance) C4'-P energy: -118.085 bonds (distance) P-C4' energy: -143.433 flat angles C4'-P-C4' energy: -132.276 flat angles P-C4'-P energy: -87.916 tors. eta vs tors. theta energy: -94.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1496.483238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.483238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.483238 (E_RNA) where: Base-Base interactions energy: -979.812 where: short stacking energy: -428.694 Base-Backbone interact. energy: -3.041 local terms energy: -513.630964 where: bonds (distance) C4'-P energy: -112.132 bonds (distance) P-C4' energy: -143.234 flat angles C4'-P-C4' energy: -112.430 flat angles P-C4'-P energy: -81.771 tors. eta vs tors. theta energy: -64.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2922.333871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.333871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.333871 (E_RNA) where: Base-Base interactions energy: -2054.541 where: short stacking energy: -872.296 Base-Backbone interact. energy: -6.654 local terms energy: -861.138244 where: bonds (distance) C4'-P energy: -153.133 bonds (distance) P-C4' energy: -160.138 flat angles C4'-P-C4' energy: -187.656 flat angles P-C4'-P energy: -120.479 tors. eta vs tors. theta energy: -239.733 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: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2870.087770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.087770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.087770 (E_RNA) where: Base-Base interactions energy: -2042.756 where: short stacking energy: -844.654 Base-Backbone interact. energy: -0.745 local terms energy: -826.587058 where: bonds (distance) C4'-P energy: -150.956 bonds (distance) P-C4' energy: -162.935 flat angles C4'-P-C4' energy: -176.086 flat angles P-C4'-P energy: -117.623 tors. eta vs tors. theta energy: -218.987 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: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2785.647065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.647065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.647065 (E_RNA) where: Base-Base interactions energy: -1933.916 where: short stacking energy: -851.493 Base-Backbone interact. energy: -2.660 local terms energy: -849.070839 where: bonds (distance) C4'-P energy: -166.973 bonds (distance) P-C4' energy: -154.822 flat angles C4'-P-C4' energy: -169.769 flat angles P-C4'-P energy: -129.542 tors. eta vs tors. theta energy: -227.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2645.598802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.598802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.598802 (E_RNA) where: Base-Base interactions energy: -1882.565 where: short stacking energy: -772.000 Base-Backbone interact. energy: -2.672 local terms energy: -760.361751 where: bonds (distance) C4'-P energy: -143.920 bonds (distance) P-C4' energy: -147.806 flat angles C4'-P-C4' energy: -162.929 flat angles P-C4'-P energy: -110.606 tors. eta vs tors. theta energy: -195.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2583.650835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.650835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.650835 (E_RNA) where: Base-Base interactions energy: -1843.173 where: short stacking energy: -788.588 Base-Backbone interact. energy: 0.829 local terms energy: -741.306248 where: bonds (distance) C4'-P energy: -133.932 bonds (distance) P-C4' energy: -144.237 flat angles C4'-P-C4' energy: -159.608 flat angles P-C4'-P energy: -106.333 tors. eta vs tors. theta energy: -197.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2373.780817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.780817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.780817 (E_RNA) where: Base-Base interactions energy: -1625.440 where: short stacking energy: -694.502 Base-Backbone interact. energy: -4.152 local terms energy: -744.189393 where: bonds (distance) C4'-P energy: -147.431 bonds (distance) P-C4' energy: -146.162 flat angles C4'-P-C4' energy: -163.625 flat angles P-C4'-P energy: -115.890 tors. eta vs tors. theta energy: -171.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -2142.020894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.020894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.020894 (E_RNA) where: Base-Base interactions energy: -1512.297 where: short stacking energy: -641.841 Base-Backbone interact. energy: 2.817 local terms energy: -632.540315 where: bonds (distance) C4'-P energy: -120.167 bonds (distance) P-C4' energy: -123.088 flat angles C4'-P-C4' energy: -153.593 flat angles P-C4'-P energy: -89.655 tors. eta vs tors. theta energy: -146.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1977.979147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.979147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.979147 (E_RNA) where: Base-Base interactions energy: -1325.084 where: short stacking energy: -567.551 Base-Backbone interact. energy: -3.973 local terms energy: -648.922167 where: bonds (distance) C4'-P energy: -126.144 bonds (distance) P-C4' energy: -139.546 flat angles C4'-P-C4' energy: -155.169 flat angles P-C4'-P energy: -83.346 tors. eta vs tors. theta energy: -144.718 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: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1589.674180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.674180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.674180 (E_RNA) where: Base-Base interactions energy: -1034.620 where: short stacking energy: -468.717 Base-Backbone interact. energy: 1.994 local terms energy: -557.048139 where: bonds (distance) C4'-P energy: -128.007 bonds (distance) P-C4' energy: -124.056 flat angles C4'-P-C4' energy: -128.767 flat angles P-C4'-P energy: -83.703 tors. eta vs tors. theta energy: -92.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1380.298760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.298760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.298760 (E_RNA) where: Base-Base interactions energy: -850.385 where: short stacking energy: -376.469 Base-Backbone interact. energy: 0.108 local terms energy: -530.021708 where: bonds (distance) C4'-P energy: -117.295 bonds (distance) P-C4' energy: -133.240 flat angles C4'-P-C4' energy: -134.079 flat angles P-C4'-P energy: -89.871 tors. eta vs tors. theta energy: -55.537 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: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2913.264094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.264094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.264094 (E_RNA) where: Base-Base interactions energy: -2055.009 where: short stacking energy: -891.668 Base-Backbone interact. energy: -4.811 local terms energy: -853.444056 where: bonds (distance) C4'-P energy: -156.436 bonds (distance) P-C4' energy: -163.876 flat angles C4'-P-C4' energy: -163.923 flat angles P-C4'-P energy: -118.020 tors. eta vs tors. theta energy: -251.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2816.629104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.629104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.629104 (E_RNA) where: Base-Base interactions energy: -1987.271 where: short stacking energy: -833.998 Base-Backbone interact. energy: -2.769 local terms energy: -826.588881 where: bonds (distance) C4'-P energy: -161.227 bonds (distance) P-C4' energy: -158.703 flat angles C4'-P-C4' energy: -175.145 flat angles P-C4'-P energy: -114.675 tors. eta vs tors. theta energy: -216.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2803.370634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.370634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.370634 (E_RNA) where: Base-Base interactions energy: -1977.108 where: short stacking energy: -849.518 Base-Backbone interact. energy: -0.547 local terms energy: -825.715347 where: bonds (distance) C4'-P energy: -143.557 bonds (distance) P-C4' energy: -145.188 flat angles C4'-P-C4' energy: -182.042 flat angles P-C4'-P energy: -126.447 tors. eta vs tors. theta energy: -228.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2603.187172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.187172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.187172 (E_RNA) where: Base-Base interactions energy: -1810.151 where: short stacking energy: -801.494 Base-Backbone interact. energy: -4.461 local terms energy: -788.574583 where: bonds (distance) C4'-P energy: -131.447 bonds (distance) P-C4' energy: -150.364 flat angles C4'-P-C4' energy: -178.447 flat angles P-C4'-P energy: -112.138 tors. eta vs tors. theta energy: -216.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2566.114036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.114036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.114036 (E_RNA) where: Base-Base interactions energy: -1827.540 where: short stacking energy: -751.590 Base-Backbone interact. energy: -5.588 local terms energy: -732.985890 where: bonds (distance) C4'-P energy: -117.450 bonds (distance) P-C4' energy: -149.046 flat angles C4'-P-C4' energy: -160.443 flat angles P-C4'-P energy: -122.856 tors. eta vs tors. theta energy: -183.191 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: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2403.497223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.497223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.497223 (E_RNA) where: Base-Base interactions energy: -1683.894 where: short stacking energy: -743.236 Base-Backbone interact. energy: 4.818 local terms energy: -724.421066 where: bonds (distance) C4'-P energy: -125.546 bonds (distance) P-C4' energy: -149.318 flat angles C4'-P-C4' energy: -174.252 flat angles P-C4'-P energy: -89.503 tors. eta vs tors. theta energy: -185.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2099.244832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.244832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.244832 (E_RNA) where: Base-Base interactions energy: -1466.045 where: short stacking energy: -643.815 Base-Backbone interact. energy: -0.226 local terms energy: -632.974321 where: bonds (distance) C4'-P energy: -125.330 bonds (distance) P-C4' energy: -135.327 flat angles C4'-P-C4' energy: -138.467 flat angles P-C4'-P energy: -95.101 tors. eta vs tors. theta energy: -138.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -2028.801053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.801053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.801053 (E_RNA) where: Base-Base interactions energy: -1387.026 where: short stacking energy: -612.717 Base-Backbone interact. energy: 3.384 local terms energy: -645.158457 where: bonds (distance) C4'-P energy: -125.367 bonds (distance) P-C4' energy: -140.566 flat angles C4'-P-C4' energy: -130.771 flat angles P-C4'-P energy: -87.927 tors. eta vs tors. theta energy: -160.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1597.030272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.030272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.030272 (E_RNA) where: Base-Base interactions energy: -1056.542 where: short stacking energy: -477.371 Base-Backbone interact. energy: -2.062 local terms energy: -538.425877 where: bonds (distance) C4'-P energy: -135.512 bonds (distance) P-C4' energy: -125.064 flat angles C4'-P-C4' energy: -137.773 flat angles P-C4'-P energy: -61.550 tors. eta vs tors. theta energy: -78.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1370.671250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.671250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.671250 (E_RNA) where: Base-Base interactions energy: -870.151 where: short stacking energy: -407.531 Base-Backbone interact. energy: 3.154 local terms energy: -503.673516 where: bonds (distance) C4'-P energy: -121.425 bonds (distance) P-C4' energy: -132.218 flat angles C4'-P-C4' energy: -115.648 flat angles P-C4'-P energy: -72.073 tors. eta vs tors. theta energy: -62.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2921.212150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.212150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.212150 (E_RNA) where: Base-Base interactions energy: -2050.596 where: short stacking energy: -912.290 Base-Backbone interact. energy: -3.458 local terms energy: -867.158353 where: bonds (distance) C4'-P energy: -158.043 bonds (distance) P-C4' energy: -166.665 flat angles C4'-P-C4' energy: -182.072 flat angles P-C4'-P energy: -118.779 tors. eta vs tors. theta energy: -241.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2866.202509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.202509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.202509 (E_RNA) where: Base-Base interactions energy: -2013.549 where: short stacking energy: -860.601 Base-Backbone interact. energy: -4.554 local terms energy: -848.100278 where: bonds (distance) C4'-P energy: -148.540 bonds (distance) P-C4' energy: -156.012 flat angles C4'-P-C4' energy: -192.554 flat angles P-C4'-P energy: -119.641 tors. eta vs tors. theta energy: -231.353 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: 207 Temperature: 1.000000 Total energy: -2783.378120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.378120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.378120 (E_RNA) where: Base-Base interactions energy: -1976.839 where: short stacking energy: -833.344 Base-Backbone interact. energy: 2.506 local terms energy: -809.045378 where: bonds (distance) C4'-P energy: -145.574 bonds (distance) P-C4' energy: -150.351 flat angles C4'-P-C4' energy: -189.819 flat angles P-C4'-P energy: -106.432 tors. eta vs tors. theta energy: -216.869 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: 207 Temperature: 1.050000 Total energy: -2615.470451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.470451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.470451 (E_RNA) where: Base-Base interactions energy: -1847.425 where: short stacking energy: -788.040 Base-Backbone interact. energy: 4.292 local terms energy: -772.337673 where: bonds (distance) C4'-P energy: -151.816 bonds (distance) P-C4' energy: -154.027 flat angles C4'-P-C4' energy: -160.487 flat angles P-C4'-P energy: -112.966 tors. eta vs tors. theta energy: -193.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2498.361378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.361378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.361378 (E_RNA) where: Base-Base interactions energy: -1721.585 where: short stacking energy: -744.844 Base-Backbone interact. energy: -0.202 local terms energy: -776.574124 where: bonds (distance) C4'-P energy: -139.486 bonds (distance) P-C4' energy: -152.200 flat angles C4'-P-C4' energy: -171.944 flat angles P-C4'-P energy: -119.408 tors. eta vs tors. theta energy: -193.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2446.309245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.309245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.309245 (E_RNA) where: Base-Base interactions energy: -1701.335 where: short stacking energy: -742.829 Base-Backbone interact. energy: 1.660 local terms energy: -746.633607 where: bonds (distance) C4'-P energy: -127.590 bonds (distance) P-C4' energy: -158.882 flat angles C4'-P-C4' energy: -164.352 flat angles P-C4'-P energy: -99.219 tors. eta vs tors. theta energy: -196.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2062.658061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.658061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.658061 (E_RNA) where: Base-Base interactions energy: -1383.641 where: short stacking energy: -592.802 Base-Backbone interact. energy: -5.548 local terms energy: -673.468629 where: bonds (distance) C4'-P energy: -148.839 bonds (distance) P-C4' energy: -138.735 flat angles C4'-P-C4' energy: -141.102 flat angles P-C4'-P energy: -106.310 tors. eta vs tors. theta energy: -138.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -2013.685377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.685377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.685377 (E_RNA) where: Base-Base interactions energy: -1395.026 where: short stacking energy: -638.653 Base-Backbone interact. energy: -3.898 local terms energy: -614.761775 where: bonds (distance) C4'-P energy: -134.903 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -139.478 flat angles P-C4'-P energy: -62.107 tors. eta vs tors. theta energy: -147.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1565.925288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.925288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.925288 (E_RNA) where: Base-Base interactions energy: -1051.443 where: short stacking energy: -459.106 Base-Backbone interact. energy: -3.454 local terms energy: -511.028012 where: bonds (distance) C4'-P energy: -117.354 bonds (distance) P-C4' energy: -128.067 flat angles C4'-P-C4' energy: -119.834 flat angles P-C4'-P energy: -80.882 tors. eta vs tors. theta energy: -64.892 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: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1386.923970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.923970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.923970 (E_RNA) where: Base-Base interactions energy: -912.038 where: short stacking energy: -422.837 Base-Backbone interact. energy: 0.851 local terms energy: -475.736780 where: bonds (distance) C4'-P energy: -108.819 bonds (distance) P-C4' energy: -126.340 flat angles C4'-P-C4' energy: -113.372 flat angles P-C4'-P energy: -68.968 tors. eta vs tors. theta energy: -58.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2885.086261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.086261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.086261 (E_RNA) where: Base-Base interactions energy: -2023.865 where: short stacking energy: -872.190 Base-Backbone interact. energy: -5.688 local terms energy: -855.533086 where: bonds (distance) C4'-P energy: -159.563 bonds (distance) P-C4' energy: -163.675 flat angles C4'-P-C4' energy: -190.446 flat angles P-C4'-P energy: -112.769 tors. eta vs tors. theta energy: -229.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2853.871236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.871236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.871236 (E_RNA) where: Base-Base interactions energy: -2009.972 where: short stacking energy: -874.935 Base-Backbone interact. energy: -2.526 local terms energy: -841.372427 where: bonds (distance) C4'-P energy: -150.627 bonds (distance) P-C4' energy: -171.516 flat angles C4'-P-C4' energy: -176.643 flat angles P-C4'-P energy: -109.149 tors. eta vs tors. theta energy: -233.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2764.648768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.648768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.648768 (E_RNA) where: Base-Base interactions energy: -1991.321 where: short stacking energy: -858.534 Base-Backbone interact. energy: -3.061 local terms energy: -770.266128 where: bonds (distance) C4'-P energy: -136.041 bonds (distance) P-C4' energy: -130.858 flat angles C4'-P-C4' energy: -170.373 flat angles P-C4'-P energy: -112.030 tors. eta vs tors. theta energy: -220.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2598.117010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.117010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.117010 (E_RNA) where: Base-Base interactions energy: -1840.704 where: short stacking energy: -786.912 Base-Backbone interact. energy: -1.434 local terms energy: -755.979066 where: bonds (distance) C4'-P energy: -140.773 bonds (distance) P-C4' energy: -141.534 flat angles C4'-P-C4' energy: -166.857 flat angles P-C4'-P energy: -110.973 tors. eta vs tors. theta energy: -195.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2496.824321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.824321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.824321 (E_RNA) where: Base-Base interactions energy: -1753.974 where: short stacking energy: -703.612 Base-Backbone interact. energy: 0.474 local terms energy: -743.324352 where: bonds (distance) C4'-P energy: -135.665 bonds (distance) P-C4' energy: -159.706 flat angles C4'-P-C4' energy: -160.908 flat angles P-C4'-P energy: -97.531 tors. eta vs tors. theta energy: -189.514 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: 208 Temperature: 1.150000 Total energy: -2421.727174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.727174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.727174 (E_RNA) where: Base-Base interactions energy: -1689.474 where: short stacking energy: -750.235 Base-Backbone interact. energy: -3.169 local terms energy: -729.084768 where: bonds (distance) C4'-P energy: -129.086 bonds (distance) P-C4' energy: -144.250 flat angles C4'-P-C4' energy: -154.117 flat angles P-C4'-P energy: -105.060 tors. eta vs tors. theta energy: -196.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -2103.845136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.845136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.845136 (E_RNA) where: Base-Base interactions energy: -1446.985 where: short stacking energy: -663.739 Base-Backbone interact. energy: -5.597 local terms energy: -651.263823 where: bonds (distance) C4'-P energy: -113.374 bonds (distance) P-C4' energy: -143.186 flat angles C4'-P-C4' energy: -147.641 flat angles P-C4'-P energy: -81.387 tors. eta vs tors. theta energy: -165.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1983.419198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.419198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.419198 (E_RNA) where: Base-Base interactions energy: -1355.901 where: short stacking energy: -555.406 Base-Backbone interact. energy: -3.382 local terms energy: -624.135489 where: bonds (distance) C4'-P energy: -112.082 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -149.361 flat angles P-C4'-P energy: -103.225 tors. eta vs tors. theta energy: -113.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1587.258454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.258454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.258454 (E_RNA) where: Base-Base interactions energy: -1049.663 where: short stacking energy: -487.625 Base-Backbone interact. energy: -1.043 local terms energy: -536.552490 where: bonds (distance) C4'-P energy: -128.553 bonds (distance) P-C4' energy: -117.927 flat angles C4'-P-C4' energy: -136.032 flat angles P-C4'-P energy: -76.352 tors. eta vs tors. theta energy: -77.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1401.527740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.527740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.527740 (E_RNA) where: Base-Base interactions energy: -900.762 where: short stacking energy: -404.921 Base-Backbone interact. energy: 8.133 local terms energy: -508.899001 where: bonds (distance) C4'-P energy: -112.249 bonds (distance) P-C4' energy: -149.050 flat angles C4'-P-C4' energy: -110.744 flat angles P-C4'-P energy: -72.473 tors. eta vs tors. theta energy: -64.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2914.251789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.251789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.251789 (E_RNA) where: Base-Base interactions energy: -2027.084 where: short stacking energy: -869.321 Base-Backbone interact. energy: -6.120 local terms energy: -881.047597 where: bonds (distance) C4'-P energy: -161.247 bonds (distance) P-C4' energy: -177.330 flat angles C4'-P-C4' energy: -177.697 flat angles P-C4'-P energy: -131.814 tors. eta vs tors. theta energy: -232.959 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: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2854.759815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.759815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.759815 (E_RNA) where: Base-Base interactions energy: -2016.144 where: short stacking energy: -859.040 Base-Backbone interact. energy: -4.880 local terms energy: -833.735118 where: bonds (distance) C4'-P energy: -155.322 bonds (distance) P-C4' energy: -149.138 flat angles C4'-P-C4' energy: -182.525 flat angles P-C4'-P energy: -128.411 tors. eta vs tors. theta energy: -218.339 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: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2813.618160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.618160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.618160 (E_RNA) where: Base-Base interactions energy: -2005.435 where: short stacking energy: -845.741 Base-Backbone interact. energy: -2.758 local terms energy: -805.425092 where: bonds (distance) C4'-P energy: -139.120 bonds (distance) P-C4' energy: -150.616 flat angles C4'-P-C4' energy: -179.106 flat angles P-C4'-P energy: -112.455 tors. eta vs tors. theta energy: -224.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2603.687945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.687945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.687945 (E_RNA) where: Base-Base interactions energy: -1846.879 where: short stacking energy: -756.237 Base-Backbone interact. energy: -3.547 local terms energy: -753.261726 where: bonds (distance) C4'-P energy: -152.879 bonds (distance) P-C4' energy: -138.723 flat angles C4'-P-C4' energy: -172.814 flat angles P-C4'-P energy: -110.233 tors. eta vs tors. theta energy: -178.613 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: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2582.715360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.715360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.715360 (E_RNA) where: Base-Base interactions energy: -1846.283 where: short stacking energy: -750.116 Base-Backbone interact. energy: -3.890 local terms energy: -732.542524 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -155.485 flat angles C4'-P-C4' energy: -169.672 flat angles P-C4'-P energy: -96.433 tors. eta vs tors. theta energy: -194.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2405.271811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.271811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.271811 (E_RNA) where: Base-Base interactions energy: -1700.095 where: short stacking energy: -726.438 Base-Backbone interact. energy: -2.171 local terms energy: -703.006067 where: bonds (distance) C4'-P energy: -109.365 bonds (distance) P-C4' energy: -137.415 flat angles C4'-P-C4' energy: -162.975 flat angles P-C4'-P energy: -107.147 tors. eta vs tors. theta energy: -186.104 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: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2111.171685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.171685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.171685 (E_RNA) where: Base-Base interactions energy: -1491.093 where: short stacking energy: -659.488 Base-Backbone interact. energy: -1.908 local terms energy: -618.171163 where: bonds (distance) C4'-P energy: -123.729 bonds (distance) P-C4' energy: -121.500 flat angles C4'-P-C4' energy: -145.797 flat angles P-C4'-P energy: -76.197 tors. eta vs tors. theta energy: -150.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1981.621220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.621220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.621220 (E_RNA) where: Base-Base interactions energy: -1354.499 where: short stacking energy: -608.632 Base-Backbone interact. energy: 3.868 local terms energy: -630.990894 where: bonds (distance) C4'-P energy: -137.167 bonds (distance) P-C4' energy: -123.738 flat angles C4'-P-C4' energy: -142.986 flat angles P-C4'-P energy: -87.435 tors. eta vs tors. theta energy: -139.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1529.770766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.770766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.770766 (E_RNA) where: Base-Base interactions energy: -970.655 where: short stacking energy: -459.643 Base-Backbone interact. energy: -0.839 local terms energy: -558.276906 where: bonds (distance) C4'-P energy: -110.329 bonds (distance) P-C4' energy: -131.343 flat angles C4'-P-C4' energy: -144.093 flat angles P-C4'-P energy: -90.110 tors. eta vs tors. theta energy: -82.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1452.967856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.967856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.967856 (E_RNA) where: Base-Base interactions energy: -951.169 where: short stacking energy: -405.452 Base-Backbone interact. energy: 10.186 local terms energy: -511.984846 where: bonds (distance) C4'-P energy: -124.951 bonds (distance) P-C4' energy: -125.604 flat angles C4'-P-C4' energy: -127.104 flat angles P-C4'-P energy: -75.138 tors. eta vs tors. theta energy: -59.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2895.624343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.624343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.624343 (E_RNA) where: Base-Base interactions energy: -2048.772 where: short stacking energy: -895.626 Base-Backbone interact. energy: -4.770 local terms energy: -842.082227 where: bonds (distance) C4'-P energy: -146.486 bonds (distance) P-C4' energy: -156.016 flat angles C4'-P-C4' energy: -184.844 flat angles P-C4'-P energy: -129.279 tors. eta vs tors. theta energy: -225.457 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: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2859.308639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.308639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.308639 (E_RNA) where: Base-Base interactions energy: -2008.381 where: short stacking energy: -840.252 Base-Backbone interact. energy: -1.690 local terms energy: -849.237439 where: bonds (distance) C4'-P energy: -168.036 bonds (distance) P-C4' energy: -172.732 flat angles C4'-P-C4' energy: -170.661 flat angles P-C4'-P energy: -121.587 tors. eta vs tors. theta energy: -216.221 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: 210 Temperature: 1.000000 Total energy: -2792.071871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.071871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.071871 (E_RNA) where: Base-Base interactions energy: -1988.686 where: short stacking energy: -805.947 Base-Backbone interact. energy: -5.065 local terms energy: -798.321427 where: bonds (distance) C4'-P energy: -131.967 bonds (distance) P-C4' energy: -160.335 flat angles C4'-P-C4' energy: -188.032 flat angles P-C4'-P energy: -108.155 tors. eta vs tors. theta energy: -209.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2657.588052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.588052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.588052 (E_RNA) where: Base-Base interactions energy: -1877.398 where: short stacking energy: -793.527 Base-Backbone interact. energy: -4.916 local terms energy: -775.274107 where: bonds (distance) C4'-P energy: -140.999 bonds (distance) P-C4' energy: -142.422 flat angles C4'-P-C4' energy: -180.190 flat angles P-C4'-P energy: -104.201 tors. eta vs tors. theta energy: -207.462 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: 10 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2585.926514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.926514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.926514 (E_RNA) where: Base-Base interactions energy: -1804.354 where: short stacking energy: -763.369 Base-Backbone interact. energy: -4.781 local terms energy: -776.790616 where: bonds (distance) C4'-P energy: -147.523 bonds (distance) P-C4' energy: -136.631 flat angles C4'-P-C4' energy: -183.559 flat angles P-C4'-P energy: -105.422 tors. eta vs tors. theta energy: -203.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2414.675071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.675071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.675071 (E_RNA) where: Base-Base interactions energy: -1719.150 where: short stacking energy: -752.580 Base-Backbone interact. energy: -2.341 local terms energy: -693.183688 where: bonds (distance) C4'-P energy: -117.213 bonds (distance) P-C4' energy: -118.050 flat angles C4'-P-C4' energy: -162.638 flat angles P-C4'-P energy: -104.473 tors. eta vs tors. theta energy: -190.810 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: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2123.463425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.463425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.463425 (E_RNA) where: Base-Base interactions energy: -1448.565 where: short stacking energy: -659.988 Base-Backbone interact. energy: 1.465 local terms energy: -676.363286 where: bonds (distance) C4'-P energy: -143.073 bonds (distance) P-C4' energy: -124.703 flat angles C4'-P-C4' energy: -156.834 flat angles P-C4'-P energy: -91.104 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: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1903.890372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.890372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.890372 (E_RNA) where: Base-Base interactions energy: -1304.672 where: short stacking energy: -558.104 Base-Backbone interact. energy: 0.697 local terms energy: -599.915876 where: bonds (distance) C4'-P energy: -130.207 bonds (distance) P-C4' energy: -131.367 flat angles C4'-P-C4' energy: -139.630 flat angles P-C4'-P energy: -85.135 tors. eta vs tors. theta energy: -113.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1521.442341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.442341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.442341 (E_RNA) where: Base-Base interactions energy: -1007.998 where: short stacking energy: -483.479 Base-Backbone interact. energy: -3.486 local terms energy: -509.958318 where: bonds (distance) C4'-P energy: -141.304 bonds (distance) P-C4' energy: -110.163 flat angles C4'-P-C4' energy: -120.526 flat angles P-C4'-P energy: -65.311 tors. eta vs tors. theta energy: -72.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1323.539333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.539333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.539333 (E_RNA) where: Base-Base interactions energy: -858.949 where: short stacking energy: -416.936 Base-Backbone interact. energy: 0.491 local terms energy: -465.080657 where: bonds (distance) C4'-P energy: -110.283 bonds (distance) P-C4' energy: -125.019 flat angles C4'-P-C4' energy: -122.814 flat angles P-C4'-P energy: -49.343 tors. eta vs tors. theta energy: -57.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2918.116659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.116659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.116659 (E_RNA) where: Base-Base interactions energy: -2065.027 where: short stacking energy: -901.269 Base-Backbone interact. energy: -4.172 local terms energy: -848.917897 where: bonds (distance) C4'-P energy: -167.385 bonds (distance) P-C4' energy: -148.328 flat angles C4'-P-C4' energy: -182.219 flat angles P-C4'-P energy: -125.726 tors. eta vs tors. theta energy: -225.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2812.862907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.862907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.862907 (E_RNA) where: Base-Base interactions energy: -2001.358 where: short stacking energy: -849.051 Base-Backbone interact. energy: -4.430 local terms energy: -807.074805 where: bonds (distance) C4'-P energy: -149.011 bonds (distance) P-C4' energy: -163.897 flat angles C4'-P-C4' energy: -163.829 flat angles P-C4'-P energy: -104.003 tors. eta vs tors. theta energy: -226.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2798.056788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.056788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.056788 (E_RNA) where: Base-Base interactions energy: -2007.164 where: short stacking energy: -821.441 Base-Backbone interact. energy: -0.550 local terms energy: -790.343601 where: bonds (distance) C4'-P energy: -144.122 bonds (distance) P-C4' energy: -137.836 flat angles C4'-P-C4' energy: -166.456 flat angles P-C4'-P energy: -123.759 tors. eta vs tors. theta energy: -218.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2683.556874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.556874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.556874 (E_RNA) where: Base-Base interactions energy: -1957.488 where: short stacking energy: -802.688 Base-Backbone interact. energy: -5.294 local terms energy: -720.774700 where: bonds (distance) C4'-P energy: -114.294 bonds (distance) P-C4' energy: -134.295 flat angles C4'-P-C4' energy: -163.881 flat angles P-C4'-P energy: -105.133 tors. eta vs tors. theta energy: -203.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2528.818821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.818821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.818821 (E_RNA) where: Base-Base interactions energy: -1818.637 where: short stacking energy: -743.566 Base-Backbone interact. energy: -1.689 local terms energy: -708.492616 where: bonds (distance) C4'-P energy: -136.175 bonds (distance) P-C4' energy: -139.047 flat angles C4'-P-C4' energy: -150.922 flat angles P-C4'-P energy: -98.348 tors. eta vs tors. theta energy: -184.000 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: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2401.637078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.637078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.637078 (E_RNA) where: Base-Base interactions energy: -1704.373 where: short stacking energy: -715.806 Base-Backbone interact. energy: 0.633 local terms energy: -697.897211 where: bonds (distance) C4'-P energy: -138.846 bonds (distance) P-C4' energy: -145.466 flat angles C4'-P-C4' energy: -152.448 flat angles P-C4'-P energy: -77.948 tors. eta vs tors. theta energy: -183.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2082.280361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.280361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.280361 (E_RNA) where: Base-Base interactions energy: -1424.492 where: short stacking energy: -653.752 Base-Backbone interact. energy: -1.725 local terms energy: -656.062991 where: bonds (distance) C4'-P energy: -107.831 bonds (distance) P-C4' energy: -142.862 flat angles C4'-P-C4' energy: -150.902 flat angles P-C4'-P energy: -95.182 tors. eta vs tors. theta energy: -159.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1881.527531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.527531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.527531 (E_RNA) where: Base-Base interactions energy: -1314.277 where: short stacking energy: -564.430 Base-Backbone interact. energy: 2.328 local terms energy: -569.578666 where: bonds (distance) C4'-P energy: -120.987 bonds (distance) P-C4' energy: -158.413 flat angles C4'-P-C4' energy: -117.889 flat angles P-C4'-P energy: -67.705 tors. eta vs tors. theta energy: -104.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1498.764565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.764565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.764565 (E_RNA) where: Base-Base interactions energy: -986.762 where: short stacking energy: -484.269 Base-Backbone interact. energy: 3.024 local terms energy: -515.026598 where: bonds (distance) C4'-P energy: -119.504 bonds (distance) P-C4' energy: -126.904 flat angles C4'-P-C4' energy: -127.915 flat angles P-C4'-P energy: -71.697 tors. eta vs tors. theta energy: -69.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1287.434485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.434485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.434485 (E_RNA) where: Base-Base interactions energy: -804.712 where: short stacking energy: -386.182 Base-Backbone interact. energy: 2.804 local terms energy: -485.526064 where: bonds (distance) C4'-P energy: -117.666 bonds (distance) P-C4' energy: -128.147 flat angles C4'-P-C4' energy: -104.133 flat angles P-C4'-P energy: -75.696 tors. eta vs tors. theta energy: -59.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2901.488701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.488701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.488701 (E_RNA) where: Base-Base interactions energy: -2053.915 where: short stacking energy: -870.154 Base-Backbone interact. energy: -5.354 local terms energy: -842.219364 where: bonds (distance) C4'-P energy: -154.157 bonds (distance) P-C4' energy: -160.241 flat angles C4'-P-C4' energy: -185.285 flat angles P-C4'-P energy: -112.972 tors. eta vs tors. theta energy: -229.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2830.562289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.562289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.562289 (E_RNA) where: Base-Base interactions energy: -2010.637 where: short stacking energy: -884.560 Base-Backbone interact. energy: -0.511 local terms energy: -819.414882 where: bonds (distance) C4'-P energy: -151.778 bonds (distance) P-C4' energy: -150.224 flat angles C4'-P-C4' energy: -171.620 flat angles P-C4'-P energy: -114.583 tors. eta vs tors. theta energy: -231.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2813.099875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.099875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.099875 (E_RNA) where: Base-Base interactions energy: -1994.387 where: short stacking energy: -825.109 Base-Backbone interact. energy: -2.077 local terms energy: -816.635912 where: bonds (distance) C4'-P energy: -150.383 bonds (distance) P-C4' energy: -171.550 flat angles C4'-P-C4' energy: -172.007 flat angles P-C4'-P energy: -107.445 tors. eta vs tors. theta energy: -215.251 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: 212 Temperature: 1.050000 Total energy: -2654.295339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.295339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.295339 (E_RNA) where: Base-Base interactions energy: -1894.676 where: short stacking energy: -768.119 Base-Backbone interact. energy: -2.263 local terms energy: -757.356100 where: bonds (distance) C4'-P energy: -143.796 bonds (distance) P-C4' energy: -149.660 flat angles C4'-P-C4' energy: -168.226 flat angles P-C4'-P energy: -103.275 tors. eta vs tors. theta energy: -192.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2556.836639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.836639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.836639 (E_RNA) where: Base-Base interactions energy: -1796.595 where: short stacking energy: -739.588 Base-Backbone interact. energy: -7.436 local terms energy: -752.805876 where: bonds (distance) C4'-P energy: -154.301 bonds (distance) P-C4' energy: -145.718 flat angles C4'-P-C4' energy: -154.199 flat angles P-C4'-P energy: -102.303 tors. eta vs tors. theta energy: -196.284 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: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2380.477011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.477011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.477011 (E_RNA) where: Base-Base interactions energy: -1675.104 where: short stacking energy: -690.032 Base-Backbone interact. energy: -1.379 local terms energy: -703.994175 where: bonds (distance) C4'-P energy: -141.836 bonds (distance) P-C4' energy: -140.589 flat angles C4'-P-C4' energy: -156.869 flat angles P-C4'-P energy: -88.495 tors. eta vs tors. theta energy: -176.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2078.795144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.795144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.795144 (E_RNA) where: Base-Base interactions energy: -1409.978 where: short stacking energy: -634.665 Base-Backbone interact. energy: -5.274 local terms energy: -663.543419 where: bonds (distance) C4'-P energy: -126.213 bonds (distance) P-C4' energy: -141.710 flat angles C4'-P-C4' energy: -137.073 flat angles P-C4'-P energy: -108.472 tors. eta vs tors. theta energy: -150.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1890.384287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.384287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.384287 (E_RNA) where: Base-Base interactions energy: -1296.449 where: short stacking energy: -566.943 Base-Backbone interact. energy: -3.481 local terms energy: -590.453846 where: bonds (distance) C4'-P energy: -117.511 bonds (distance) P-C4' energy: -136.693 flat angles C4'-P-C4' energy: -119.520 flat angles P-C4'-P energy: -96.357 tors. eta vs tors. theta energy: -120.373 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: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1616.881430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.881430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.881430 (E_RNA) where: Base-Base interactions energy: -1072.109 where: short stacking energy: -511.197 Base-Backbone interact. energy: 6.324 local terms energy: -551.096664 where: bonds (distance) C4'-P energy: -118.759 bonds (distance) P-C4' energy: -128.060 flat angles C4'-P-C4' energy: -132.583 flat angles P-C4'-P energy: -73.160 tors. eta vs tors. theta energy: -98.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1415.791721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.791721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.791721 (E_RNA) where: Base-Base interactions energy: -901.921 where: short stacking energy: -399.198 Base-Backbone interact. energy: 0.962 local terms energy: -514.833185 where: bonds (distance) C4'-P energy: -135.684 bonds (distance) P-C4' energy: -130.712 flat angles C4'-P-C4' energy: -116.771 flat angles P-C4'-P energy: -66.740 tors. eta vs tors. theta energy: -64.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2902.936442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.936442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.936442 (E_RNA) where: Base-Base interactions energy: -2029.227 where: short stacking energy: -914.358 Base-Backbone interact. energy: -3.241 local terms energy: -870.469067 where: bonds (distance) C4'-P energy: -171.677 bonds (distance) P-C4' energy: -165.858 flat angles C4'-P-C4' energy: -179.848 flat angles P-C4'-P energy: -122.277 tors. eta vs tors. theta energy: -230.809 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: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2875.914408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.914408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.914408 (E_RNA) where: Base-Base interactions energy: -2028.082 where: short stacking energy: -876.180 Base-Backbone interact. energy: 3.445 local terms energy: -851.276515 where: bonds (distance) C4'-P energy: -159.151 bonds (distance) P-C4' energy: -174.582 flat angles C4'-P-C4' energy: -175.711 flat angles P-C4'-P energy: -107.582 tors. eta vs tors. theta energy: -234.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2769.046882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.046882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.046882 (E_RNA) where: Base-Base interactions energy: -1991.320 where: short stacking energy: -866.830 Base-Backbone interact. energy: -1.489 local terms energy: -776.237504 where: bonds (distance) C4'-P energy: -142.986 bonds (distance) P-C4' energy: -153.624 flat angles C4'-P-C4' energy: -165.133 flat angles P-C4'-P energy: -94.706 tors. eta vs tors. theta energy: -219.788 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: 213 Temperature: 1.050000 Total energy: -2718.850490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.850490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.850490 (E_RNA) where: Base-Base interactions energy: -1941.556 where: short stacking energy: -801.195 Base-Backbone interact. energy: -0.879 local terms energy: -776.415624 where: bonds (distance) C4'-P energy: -145.217 bonds (distance) P-C4' energy: -157.864 flat angles C4'-P-C4' energy: -168.065 flat angles P-C4'-P energy: -100.332 tors. eta vs tors. theta energy: -204.937 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: 10 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2569.987251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.987251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.987251 (E_RNA) where: Base-Base interactions energy: -1825.366 where: short stacking energy: -741.122 Base-Backbone interact. energy: -6.337 local terms energy: -738.284205 where: bonds (distance) C4'-P energy: -139.627 bonds (distance) P-C4' energy: -133.905 flat angles C4'-P-C4' energy: -161.443 flat angles P-C4'-P energy: -113.377 tors. eta vs tors. theta energy: -189.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2432.593258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.593258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.593258 (E_RNA) where: Base-Base interactions energy: -1729.705 where: short stacking energy: -755.775 Base-Backbone interact. energy: 1.017 local terms energy: -703.904889 where: bonds (distance) C4'-P energy: -129.974 bonds (distance) P-C4' energy: -125.896 flat angles C4'-P-C4' energy: -152.217 flat angles P-C4'-P energy: -96.758 tors. eta vs tors. theta energy: -199.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2031.925900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.925900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.925900 (E_RNA) where: Base-Base interactions energy: -1378.010 where: short stacking energy: -585.292 Base-Backbone interact. energy: -2.687 local terms energy: -651.228914 where: bonds (distance) C4'-P energy: -135.574 bonds (distance) P-C4' energy: -156.659 flat angles C4'-P-C4' energy: -150.464 flat angles P-C4'-P energy: -81.428 tors. eta vs tors. theta energy: -127.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1966.470964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.470964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.470964 (E_RNA) where: Base-Base interactions energy: -1376.637 where: short stacking energy: -587.109 Base-Backbone interact. energy: -3.181 local terms energy: -586.652595 where: bonds (distance) C4'-P energy: -119.958 bonds (distance) P-C4' energy: -117.187 flat angles C4'-P-C4' energy: -133.163 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -137.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1621.327408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.327408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.327408 (E_RNA) where: Base-Base interactions energy: -1078.682 where: short stacking energy: -470.835 Base-Backbone interact. energy: 0.668 local terms energy: -543.313430 where: bonds (distance) C4'-P energy: -123.011 bonds (distance) P-C4' energy: -107.783 flat angles C4'-P-C4' energy: -138.774 flat angles P-C4'-P energy: -98.753 tors. eta vs tors. theta energy: -74.992 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: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1340.504881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.504881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.504881 (E_RNA) where: Base-Base interactions energy: -822.517 where: short stacking energy: -399.234 Base-Backbone interact. energy: -1.671 local terms energy: -516.317313 where: bonds (distance) C4'-P energy: -120.362 bonds (distance) P-C4' energy: -135.713 flat angles C4'-P-C4' energy: -119.584 flat angles P-C4'-P energy: -79.441 tors. eta vs tors. theta energy: -61.217 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: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2927.977029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.977029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.977029 (E_RNA) where: Base-Base interactions energy: -2059.621 where: short stacking energy: -888.967 Base-Backbone interact. energy: -3.878 local terms energy: -864.477618 where: bonds (distance) C4'-P energy: -149.995 bonds (distance) P-C4' energy: -166.537 flat angles C4'-P-C4' energy: -186.344 flat angles P-C4'-P energy: -126.064 tors. eta vs tors. theta energy: -235.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2843.102019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.102019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.102019 (E_RNA) where: Base-Base interactions energy: -1988.554 where: short stacking energy: -863.383 Base-Backbone interact. energy: 3.132 local terms energy: -857.680317 where: bonds (distance) C4'-P energy: -157.557 bonds (distance) P-C4' energy: -165.891 flat angles C4'-P-C4' energy: -189.729 flat angles P-C4'-P energy: -119.345 tors. eta vs tors. theta energy: -225.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2750.843985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.843985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.843985 (E_RNA) where: Base-Base interactions energy: -1965.186 where: short stacking energy: -805.955 Base-Backbone interact. energy: -5.236 local terms energy: -780.422287 where: bonds (distance) C4'-P energy: -135.506 bonds (distance) P-C4' energy: -156.507 flat angles C4'-P-C4' energy: -168.522 flat angles P-C4'-P energy: -112.828 tors. eta vs tors. theta energy: -207.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2710.642767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.642767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.642767 (E_RNA) where: Base-Base interactions energy: -1948.324 where: short stacking energy: -817.516 Base-Backbone interact. energy: -1.197 local terms energy: -761.122341 where: bonds (distance) C4'-P energy: -143.855 bonds (distance) P-C4' energy: -146.563 flat angles C4'-P-C4' energy: -168.398 flat angles P-C4'-P energy: -100.288 tors. eta vs tors. theta energy: -202.018 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: 5, replica: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2552.299688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.299688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.299688 (E_RNA) where: Base-Base interactions energy: -1823.081 where: short stacking energy: -759.298 Base-Backbone interact. energy: -2.877 local terms energy: -726.341284 where: bonds (distance) C4'-P energy: -126.495 bonds (distance) P-C4' energy: -140.266 flat angles C4'-P-C4' energy: -150.914 flat angles P-C4'-P energy: -104.638 tors. eta vs tors. theta energy: -204.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2430.147697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.147697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.147697 (E_RNA) where: Base-Base interactions energy: -1708.078 where: short stacking energy: -741.363 Base-Backbone interact. energy: 4.714 local terms energy: -726.784639 where: bonds (distance) C4'-P energy: -130.585 bonds (distance) P-C4' energy: -149.426 flat angles C4'-P-C4' energy: -156.548 flat angles P-C4'-P energy: -80.797 tors. eta vs tors. theta energy: -209.430 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: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2034.359878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.359878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.359878 (E_RNA) where: Base-Base interactions energy: -1375.277 where: short stacking energy: -586.265 Base-Backbone interact. energy: -1.627 local terms energy: -657.456416 where: bonds (distance) C4'-P energy: -146.534 bonds (distance) P-C4' energy: -149.507 flat angles C4'-P-C4' energy: -160.143 flat angles P-C4'-P energy: -86.061 tors. eta vs tors. theta energy: -115.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1936.397202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.397202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.397202 (E_RNA) where: Base-Base interactions energy: -1337.444 where: short stacking energy: -549.519 Base-Backbone interact. energy: -0.956 local terms energy: -597.997923 where: bonds (distance) C4'-P energy: -144.119 bonds (distance) P-C4' energy: -139.842 flat angles C4'-P-C4' energy: -125.958 flat angles P-C4'-P energy: -75.784 tors. eta vs tors. theta energy: -112.294 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: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1613.865709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.865709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.865709 (E_RNA) where: Base-Base interactions energy: -1060.148 where: short stacking energy: -480.037 Base-Backbone interact. energy: -1.483 local terms energy: -552.235387 where: bonds (distance) C4'-P energy: -116.240 bonds (distance) P-C4' energy: -134.800 flat angles C4'-P-C4' energy: -133.487 flat angles P-C4'-P energy: -85.338 tors. eta vs tors. theta energy: -82.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1413.000326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.000326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.000326 (E_RNA) where: Base-Base interactions energy: -942.432 where: short stacking energy: -435.678 Base-Backbone interact. energy: 1.611 local terms energy: -472.179504 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -135.893 flat angles C4'-P-C4' energy: -108.578 flat angles P-C4'-P energy: -50.762 tors. eta vs tors. theta energy: -61.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2920.388009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.388009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.388009 (E_RNA) where: Base-Base interactions energy: -2058.525 where: short stacking energy: -881.554 Base-Backbone interact. energy: -4.091 local terms energy: -857.771629 where: bonds (distance) C4'-P energy: -155.933 bonds (distance) P-C4' energy: -159.961 flat angles C4'-P-C4' energy: -182.097 flat angles P-C4'-P energy: -123.409 tors. eta vs tors. theta energy: -236.372 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: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2880.451520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.451520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.451520 (E_RNA) where: Base-Base interactions energy: -2028.370 where: short stacking energy: -876.621 Base-Backbone interact. energy: 0.553 local terms energy: -852.634355 where: bonds (distance) C4'-P energy: -144.447 bonds (distance) P-C4' energy: -168.050 flat angles C4'-P-C4' energy: -170.866 flat angles P-C4'-P energy: -127.480 tors. eta vs tors. theta energy: -241.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2750.373931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.373931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.373931 (E_RNA) where: Base-Base interactions energy: -1961.011 where: short stacking energy: -811.207 Base-Backbone interact. energy: -2.838 local terms energy: -786.524480 where: bonds (distance) C4'-P energy: -140.403 bonds (distance) P-C4' energy: -157.340 flat angles C4'-P-C4' energy: -158.760 flat angles P-C4'-P energy: -108.770 tors. eta vs tors. theta energy: -221.251 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: 215 Temperature: 1.050000 Total energy: -2678.377429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.377429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.377429 (E_RNA) where: Base-Base interactions energy: -1919.136 where: short stacking energy: -811.125 Base-Backbone interact. energy: -4.823 local terms energy: -754.417892 where: bonds (distance) C4'-P energy: -129.831 bonds (distance) P-C4' energy: -154.904 flat angles C4'-P-C4' energy: -166.268 flat angles P-C4'-P energy: -105.494 tors. eta vs tors. theta energy: -197.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2525.171228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.171228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.171228 (E_RNA) where: Base-Base interactions energy: -1792.927 where: short stacking energy: -727.057 Base-Backbone interact. energy: -3.123 local terms energy: -729.120550 where: bonds (distance) C4'-P energy: -129.899 bonds (distance) P-C4' energy: -146.189 flat angles C4'-P-C4' energy: -167.174 flat angles P-C4'-P energy: -103.567 tors. eta vs tors. theta energy: -182.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2436.086262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.086262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.086262 (E_RNA) where: Base-Base interactions energy: -1694.771 where: short stacking energy: -732.966 Base-Backbone interact. energy: -2.051 local terms energy: -739.264286 where: bonds (distance) C4'-P energy: -133.705 bonds (distance) P-C4' energy: -131.311 flat angles C4'-P-C4' energy: -163.683 flat angles P-C4'-P energy: -109.306 tors. eta vs tors. theta energy: -201.260 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: 215 Temperature: 1.200000 Total energy: -2061.919245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.919245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.919245 (E_RNA) where: Base-Base interactions energy: -1430.935 where: short stacking energy: -601.709 Base-Backbone interact. energy: 0.770 local terms energy: -631.754823 where: bonds (distance) C4'-P energy: -135.617 bonds (distance) P-C4' energy: -131.891 flat angles C4'-P-C4' energy: -137.904 flat angles P-C4'-P energy: -85.232 tors. eta vs tors. theta energy: -141.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1917.045454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.045454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.045454 (E_RNA) where: Base-Base interactions energy: -1315.737 where: short stacking energy: -540.550 Base-Backbone interact. energy: -2.394 local terms energy: -598.914784 where: bonds (distance) C4'-P energy: -120.108 bonds (distance) P-C4' energy: -126.632 flat angles C4'-P-C4' energy: -153.777 flat angles P-C4'-P energy: -84.162 tors. eta vs tors. theta energy: -114.236 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: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1661.547539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.547539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.547539 (E_RNA) where: Base-Base interactions energy: -1098.045 where: short stacking energy: -479.819 Base-Backbone interact. energy: 5.552 local terms energy: -569.053961 where: bonds (distance) C4'-P energy: -135.066 bonds (distance) P-C4' energy: -118.989 flat angles C4'-P-C4' energy: -145.736 flat angles P-C4'-P energy: -76.573 tors. eta vs tors. theta energy: -92.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1327.879707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.879707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.879707 (E_RNA) where: Base-Base interactions energy: -846.716 where: short stacking energy: -391.187 Base-Backbone interact. energy: -1.397 local terms energy: -479.767126 where: bonds (distance) C4'-P energy: -110.464 bonds (distance) P-C4' energy: -141.105 flat angles C4'-P-C4' energy: -125.002 flat angles P-C4'-P energy: -63.609 tors. eta vs tors. theta energy: -39.587 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: 1, replica: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2936.820090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.820090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.820090 (E_RNA) where: Base-Base interactions energy: -2081.118 where: short stacking energy: -867.125 Base-Backbone interact. energy: -5.626 local terms energy: -850.076272 where: bonds (distance) C4'-P energy: -157.521 bonds (distance) P-C4' energy: -161.715 flat angles C4'-P-C4' energy: -176.175 flat angles P-C4'-P energy: -119.430 tors. eta vs tors. theta energy: -235.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2841.504682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.504682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.504682 (E_RNA) where: Base-Base interactions energy: -2000.558 where: short stacking energy: -828.928 Base-Backbone interact. energy: -2.684 local terms energy: -838.263393 where: bonds (distance) C4'-P energy: -153.951 bonds (distance) P-C4' energy: -171.385 flat angles C4'-P-C4' energy: -179.948 flat angles P-C4'-P energy: -120.149 tors. eta vs tors. theta energy: -212.830 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: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2789.007269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.007269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.007269 (E_RNA) where: Base-Base interactions energy: -1993.565 where: short stacking energy: -823.411 Base-Backbone interact. energy: 2.438 local terms energy: -797.880774 where: bonds (distance) C4'-P energy: -134.315 bonds (distance) P-C4' energy: -158.256 flat angles C4'-P-C4' energy: -168.363 flat angles P-C4'-P energy: -124.317 tors. eta vs tors. theta energy: -212.630 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: 216 Temperature: 1.050000 Total energy: -2686.331847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.331847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.331847 (E_RNA) where: Base-Base interactions energy: -1907.469 where: short stacking energy: -809.148 Base-Backbone interact. energy: -3.717 local terms energy: -775.146247 where: bonds (distance) C4'-P energy: -151.852 bonds (distance) P-C4' energy: -137.216 flat angles C4'-P-C4' energy: -168.244 flat angles P-C4'-P energy: -113.447 tors. eta vs tors. theta energy: -204.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2556.912670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.912670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.912670 (E_RNA) where: Base-Base interactions energy: -1826.753 where: short stacking energy: -744.463 Base-Backbone interact. energy: -4.502 local terms energy: -725.657410 where: bonds (distance) C4'-P energy: -140.824 bonds (distance) P-C4' energy: -133.801 flat angles C4'-P-C4' energy: -151.957 flat angles P-C4'-P energy: -103.509 tors. eta vs tors. theta energy: -195.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2487.545833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.545833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.545833 (E_RNA) where: Base-Base interactions energy: -1738.926 where: short stacking energy: -740.927 Base-Backbone interact. energy: -1.573 local terms energy: -747.046886 where: bonds (distance) C4'-P energy: -132.000 bonds (distance) P-C4' energy: -149.908 flat angles C4'-P-C4' energy: -168.874 flat angles P-C4'-P energy: -110.989 tors. eta vs tors. theta energy: -185.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2140.248413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.248413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.248413 (E_RNA) where: Base-Base interactions energy: -1474.569 where: short stacking energy: -653.350 Base-Backbone interact. energy: -2.401 local terms energy: -663.278174 where: bonds (distance) C4'-P energy: -124.888 bonds (distance) P-C4' energy: -112.309 flat angles C4'-P-C4' energy: -167.499 flat angles P-C4'-P energy: -105.033 tors. eta vs tors. theta energy: -153.550 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: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -2002.422511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.422511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.422511 (E_RNA) where: Base-Base interactions energy: -1351.643 where: short stacking energy: -595.368 Base-Backbone interact. energy: -2.507 local terms energy: -648.272226 where: bonds (distance) C4'-P energy: -121.797 bonds (distance) P-C4' energy: -146.831 flat angles C4'-P-C4' energy: -139.847 flat angles P-C4'-P energy: -105.246 tors. eta vs tors. theta energy: -134.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1720.321357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.321357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.321357 (E_RNA) where: Base-Base interactions energy: -1156.651 where: short stacking energy: -511.787 Base-Backbone interact. energy: -2.615 local terms energy: -561.055289 where: bonds (distance) C4'-P energy: -105.194 bonds (distance) P-C4' energy: -127.511 flat angles C4'-P-C4' energy: -149.798 flat angles P-C4'-P energy: -84.607 tors. eta vs tors. theta energy: -93.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1339.452981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.452981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.452981 (E_RNA) where: Base-Base interactions energy: -884.718 where: short stacking energy: -396.842 Base-Backbone interact. energy: -1.874 local terms energy: -452.860722 where: bonds (distance) C4'-P energy: -115.679 bonds (distance) P-C4' energy: -119.562 flat angles C4'-P-C4' energy: -106.654 flat angles P-C4'-P energy: -62.880 tors. eta vs tors. theta energy: -48.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2936.593862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.593862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.593862 (E_RNA) where: Base-Base interactions energy: -2076.143 where: short stacking energy: -883.967 Base-Backbone interact. energy: -6.305 local terms energy: -854.146143 where: bonds (distance) C4'-P energy: -161.926 bonds (distance) P-C4' energy: -151.079 flat angles C4'-P-C4' energy: -181.644 flat angles P-C4'-P energy: -124.838 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: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2852.941389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.941389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.941389 (E_RNA) where: Base-Base interactions energy: -2015.336 where: short stacking energy: -852.181 Base-Backbone interact. energy: -2.754 local terms energy: -834.851261 where: bonds (distance) C4'-P energy: -149.812 bonds (distance) P-C4' energy: -169.079 flat angles C4'-P-C4' energy: -175.195 flat angles P-C4'-P energy: -115.191 tors. eta vs tors. theta energy: -225.575 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: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2790.591395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.591395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.591395 (E_RNA) where: Base-Base interactions energy: -1990.534 where: short stacking energy: -800.557 Base-Backbone interact. energy: 2.497 local terms energy: -802.553915 where: bonds (distance) C4'-P energy: -150.331 bonds (distance) P-C4' energy: -139.012 flat angles C4'-P-C4' energy: -182.568 flat angles P-C4'-P energy: -109.104 tors. eta vs tors. theta energy: -221.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2727.396790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.396790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.396790 (E_RNA) where: Base-Base interactions energy: -1949.927 where: short stacking energy: -819.340 Base-Backbone interact. energy: 2.124 local terms energy: -779.593787 where: bonds (distance) C4'-P energy: -143.005 bonds (distance) P-C4' energy: -156.536 flat angles C4'-P-C4' energy: -168.251 flat angles P-C4'-P energy: -109.900 tors. eta vs tors. theta energy: -201.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2548.411370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.411370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.411370 (E_RNA) where: Base-Base interactions energy: -1782.476 where: short stacking energy: -744.786 Base-Backbone interact. energy: -6.238 local terms energy: -759.697226 where: bonds (distance) C4'-P energy: -138.970 bonds (distance) P-C4' energy: -142.949 flat angles C4'-P-C4' energy: -167.323 flat angles P-C4'-P energy: -120.659 tors. eta vs tors. theta energy: -189.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2481.055135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.055135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.055135 (E_RNA) where: Base-Base interactions energy: -1739.206 where: short stacking energy: -773.650 Base-Backbone interact. energy: -0.439 local terms energy: -741.410271 where: bonds (distance) C4'-P energy: -136.221 bonds (distance) P-C4' energy: -152.932 flat angles C4'-P-C4' energy: -150.972 flat angles P-C4'-P energy: -99.258 tors. eta vs tors. theta energy: -202.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2184.961057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.961057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.961057 (E_RNA) where: Base-Base interactions energy: -1511.324 where: short stacking energy: -679.354 Base-Backbone interact. energy: 0.392 local terms energy: -674.029417 where: bonds (distance) C4'-P energy: -134.349 bonds (distance) P-C4' energy: -123.168 flat angles C4'-P-C4' energy: -161.489 flat angles P-C4'-P energy: -101.437 tors. eta vs tors. theta energy: -153.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1985.623253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.623253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.623253 (E_RNA) where: Base-Base interactions energy: -1378.337 where: short stacking energy: -593.364 Base-Backbone interact. energy: -1.935 local terms energy: -605.351437 where: bonds (distance) C4'-P energy: -140.575 bonds (distance) P-C4' energy: -117.770 flat angles C4'-P-C4' energy: -151.224 flat angles P-C4'-P energy: -74.200 tors. eta vs tors. theta energy: -121.582 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: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1693.029387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.029387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.029387 (E_RNA) where: Base-Base interactions energy: -1127.516 where: short stacking energy: -529.017 Base-Backbone interact. energy: -0.201 local terms energy: -565.311853 where: bonds (distance) C4'-P energy: -130.050 bonds (distance) P-C4' energy: -138.677 flat angles C4'-P-C4' energy: -117.464 flat angles P-C4'-P energy: -65.829 tors. eta vs tors. theta energy: -113.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1409.632498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.632498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.632498 (E_RNA) where: Base-Base interactions energy: -922.145 where: short stacking energy: -404.456 Base-Backbone interact. energy: 4.674 local terms energy: -492.161675 where: bonds (distance) C4'-P energy: -115.546 bonds (distance) P-C4' energy: -107.836 flat angles C4'-P-C4' energy: -134.644 flat angles P-C4'-P energy: -72.444 tors. eta vs tors. theta energy: -61.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2917.559370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.559370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.559370 (E_RNA) where: Base-Base interactions energy: -2057.288 where: short stacking energy: -892.158 Base-Backbone interact. energy: -3.921 local terms energy: -856.350701 where: bonds (distance) C4'-P energy: -155.937 bonds (distance) P-C4' energy: -164.144 flat angles C4'-P-C4' energy: -181.322 flat angles P-C4'-P energy: -120.618 tors. eta vs tors. theta energy: -234.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2855.935952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.935952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.935952 (E_RNA) where: Base-Base interactions energy: -2006.401 where: short stacking energy: -875.613 Base-Backbone interact. energy: -1.733 local terms energy: -847.802521 where: bonds (distance) C4'-P energy: -149.393 bonds (distance) P-C4' energy: -174.568 flat angles C4'-P-C4' energy: -191.943 flat angles P-C4'-P energy: -96.600 tors. eta vs tors. theta energy: -235.298 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: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2771.714257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.714257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.714257 (E_RNA) where: Base-Base interactions energy: -1991.968 where: short stacking energy: -810.183 Base-Backbone interact. energy: -1.922 local terms energy: -777.824924 where: bonds (distance) C4'-P energy: -144.549 bonds (distance) P-C4' energy: -141.986 flat angles C4'-P-C4' energy: -167.047 flat angles P-C4'-P energy: -116.966 tors. eta vs tors. theta energy: -207.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2707.907260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.907260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.907260 (E_RNA) where: Base-Base interactions energy: -1949.618 where: short stacking energy: -797.826 Base-Backbone interact. energy: -5.613 local terms energy: -752.676050 where: bonds (distance) C4'-P energy: -129.049 bonds (distance) P-C4' energy: -149.098 flat angles C4'-P-C4' energy: -175.134 flat angles P-C4'-P energy: -109.725 tors. eta vs tors. theta energy: -189.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2550.121704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.121704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.121704 (E_RNA) where: Base-Base interactions energy: -1809.364 where: short stacking energy: -763.039 Base-Backbone interact. energy: -4.539 local terms energy: -736.218963 where: bonds (distance) C4'-P energy: -137.385 bonds (distance) P-C4' energy: -145.383 flat angles C4'-P-C4' energy: -157.523 flat angles P-C4'-P energy: -110.493 tors. eta vs tors. theta energy: -185.435 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: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2478.954800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.954800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.954800 (E_RNA) where: Base-Base interactions energy: -1754.274 where: short stacking energy: -768.074 Base-Backbone interact. energy: -3.269 local terms energy: -721.411031 where: bonds (distance) C4'-P energy: -131.002 bonds (distance) P-C4' energy: -129.328 flat angles C4'-P-C4' energy: -165.621 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -195.108 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: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -2229.946702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.946702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.946702 (E_RNA) where: Base-Base interactions energy: -1552.263 where: short stacking energy: -702.557 Base-Backbone interact. energy: 3.836 local terms energy: -681.519273 where: bonds (distance) C4'-P energy: -131.549 bonds (distance) P-C4' energy: -107.726 flat angles C4'-P-C4' energy: -151.164 flat angles P-C4'-P energy: -111.758 tors. eta vs tors. theta energy: -179.322 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: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -2012.949337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.949337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.949337 (E_RNA) where: Base-Base interactions energy: -1400.791 where: short stacking energy: -575.993 Base-Backbone interact. energy: -1.248 local terms energy: -610.909714 where: bonds (distance) C4'-P energy: -127.021 bonds (distance) P-C4' energy: -142.957 flat angles C4'-P-C4' energy: -147.721 flat angles P-C4'-P energy: -67.758 tors. eta vs tors. theta energy: -125.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1668.932455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.932455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.932455 (E_RNA) where: Base-Base interactions energy: -1130.591 where: short stacking energy: -502.232 Base-Backbone interact. energy: -0.508 local terms energy: -537.833760 where: bonds (distance) C4'-P energy: -124.298 bonds (distance) P-C4' energy: -138.352 flat angles C4'-P-C4' energy: -113.522 flat angles P-C4'-P energy: -80.498 tors. eta vs tors. theta energy: -81.163 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: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1301.766961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.766961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.766961 (E_RNA) where: Base-Base interactions energy: -817.586 where: short stacking energy: -358.805 Base-Backbone interact. energy: -0.670 local terms energy: -483.510812 where: bonds (distance) C4'-P energy: -136.575 bonds (distance) P-C4' energy: -125.740 flat angles C4'-P-C4' energy: -99.617 flat angles P-C4'-P energy: -69.286 tors. eta vs tors. theta energy: -52.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2945.393770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.393770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.393770 (E_RNA) where: Base-Base interactions energy: -2066.680 where: short stacking energy: -875.044 Base-Backbone interact. energy: -3.927 local terms energy: -874.786316 where: bonds (distance) C4'-P energy: -161.355 bonds (distance) P-C4' energy: -155.752 flat angles C4'-P-C4' energy: -188.179 flat angles P-C4'-P energy: -135.590 tors. eta vs tors. theta energy: -233.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2894.906010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.906010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.906010 (E_RNA) where: Base-Base interactions energy: -2075.520 where: short stacking energy: -894.784 Base-Backbone interact. energy: -5.114 local terms energy: -814.272675 where: bonds (distance) C4'-P energy: -135.312 bonds (distance) P-C4' energy: -154.839 flat angles C4'-P-C4' energy: -176.977 flat angles P-C4'-P energy: -109.092 tors. eta vs tors. theta energy: -238.053 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: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2792.051177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.051177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.051177 (E_RNA) where: Base-Base interactions energy: -1984.543 where: short stacking energy: -830.314 Base-Backbone interact. energy: -2.031 local terms energy: -805.476643 where: bonds (distance) C4'-P energy: -148.199 bonds (distance) P-C4' energy: -159.324 flat angles C4'-P-C4' energy: -168.821 flat angles P-C4'-P energy: -114.450 tors. eta vs tors. theta energy: -214.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2710.959018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.959018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.959018 (E_RNA) where: Base-Base interactions energy: -1936.915 where: short stacking energy: -808.421 Base-Backbone interact. energy: -5.997 local terms energy: -768.047681 where: bonds (distance) C4'-P energy: -128.466 bonds (distance) P-C4' energy: -148.488 flat angles C4'-P-C4' energy: -166.452 flat angles P-C4'-P energy: -112.487 tors. eta vs tors. theta energy: -212.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2560.023705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.023705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.023705 (E_RNA) where: Base-Base interactions energy: -1822.703 where: short stacking energy: -778.470 Base-Backbone interact. energy: -3.685 local terms energy: -733.635636 where: bonds (distance) C4'-P energy: -144.217 bonds (distance) P-C4' energy: -112.186 flat angles C4'-P-C4' energy: -160.574 flat angles P-C4'-P energy: -116.922 tors. eta vs tors. theta energy: -199.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2502.224931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.224931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.224931 (E_RNA) where: Base-Base interactions energy: -1751.138 where: short stacking energy: -753.986 Base-Backbone interact. energy: -7.551 local terms energy: -743.535595 where: bonds (distance) C4'-P energy: -132.714 bonds (distance) P-C4' energy: -148.301 flat angles C4'-P-C4' energy: -161.739 flat angles P-C4'-P energy: -104.164 tors. eta vs tors. theta energy: -196.618 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: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2238.203359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.203359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.203359 (E_RNA) where: Base-Base interactions energy: -1531.560 where: short stacking energy: -665.009 Base-Backbone interact. energy: -1.783 local terms energy: -704.859733 where: bonds (distance) C4'-P energy: -130.997 bonds (distance) P-C4' energy: -140.829 flat angles C4'-P-C4' energy: -159.120 flat angles P-C4'-P energy: -96.945 tors. eta vs tors. theta energy: -176.969 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: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1866.570867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.570867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.570867 (E_RNA) where: Base-Base interactions energy: -1273.317 where: short stacking energy: -554.263 Base-Backbone interact. energy: -1.113 local terms energy: -592.141165 where: bonds (distance) C4'-P energy: -146.424 bonds (distance) P-C4' energy: -124.954 flat angles C4'-P-C4' energy: -132.405 flat angles P-C4'-P energy: -93.898 tors. eta vs tors. theta energy: -94.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1754.561292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.561292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.561292 (E_RNA) where: Base-Base interactions energy: -1164.376 where: short stacking energy: -523.814 Base-Backbone interact. energy: 2.313 local terms energy: -592.498654 where: bonds (distance) C4'-P energy: -128.028 bonds (distance) P-C4' energy: -147.034 flat angles C4'-P-C4' energy: -138.087 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -105.879 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: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1302.333589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.333589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.333589 (E_RNA) where: Base-Base interactions energy: -816.971 where: short stacking energy: -381.080 Base-Backbone interact. energy: 3.696 local terms energy: -489.058383 where: bonds (distance) C4'-P energy: -131.317 bonds (distance) P-C4' energy: -132.952 flat angles C4'-P-C4' energy: -119.617 flat angles P-C4'-P energy: -94.680 tors. eta vs tors. theta energy: -10.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2926.758481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.758481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.758481 (E_RNA) where: Base-Base interactions energy: -2068.716 where: short stacking energy: -894.949 Base-Backbone interact. energy: -3.199 local terms energy: -854.843834 where: bonds (distance) C4'-P energy: -153.495 bonds (distance) P-C4' energy: -160.355 flat angles C4'-P-C4' energy: -178.307 flat angles P-C4'-P energy: -114.036 tors. eta vs tors. theta energy: -248.651 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: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2889.157063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.157063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.157063 (E_RNA) where: Base-Base interactions energy: -2035.766 where: short stacking energy: -866.150 Base-Backbone interact. energy: -3.509 local terms energy: -849.882853 where: bonds (distance) C4'-P energy: -160.631 bonds (distance) P-C4' energy: -148.011 flat angles C4'-P-C4' energy: -185.801 flat angles P-C4'-P energy: -120.342 tors. eta vs tors. theta energy: -235.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2834.449231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.449231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.449231 (E_RNA) where: Base-Base interactions energy: -2048.775 where: short stacking energy: -847.502 Base-Backbone interact. energy: -5.475 local terms energy: -780.199015 where: bonds (distance) C4'-P energy: -151.206 bonds (distance) P-C4' energy: -143.220 flat angles C4'-P-C4' energy: -167.526 flat angles P-C4'-P energy: -110.398 tors. eta vs tors. theta energy: -207.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2710.609903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.609903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.609903 (E_RNA) where: Base-Base interactions energy: -1940.211 where: short stacking energy: -809.425 Base-Backbone interact. energy: 2.188 local terms energy: -772.586974 where: bonds (distance) C4'-P energy: -156.254 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -167.095 flat angles P-C4'-P energy: -103.090 tors. eta vs tors. theta energy: -197.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2552.395086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.395086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.395086 (E_RNA) where: Base-Base interactions energy: -1763.553 where: short stacking energy: -779.145 Base-Backbone interact. energy: -0.311 local terms energy: -788.531883 where: bonds (distance) C4'-P energy: -132.109 bonds (distance) P-C4' energy: -158.321 flat angles C4'-P-C4' energy: -174.180 flat angles P-C4'-P energy: -113.395 tors. eta vs tors. theta energy: -210.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2570.322519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.322519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.322519 (E_RNA) where: Base-Base interactions energy: -1803.640 where: short stacking energy: -729.663 Base-Backbone interact. energy: -1.946 local terms energy: -764.736287 where: bonds (distance) C4'-P energy: -141.390 bonds (distance) P-C4' energy: -148.229 flat angles C4'-P-C4' energy: -172.950 flat angles P-C4'-P energy: -107.674 tors. eta vs tors. theta energy: -194.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -2168.902338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.902338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.902338 (E_RNA) where: Base-Base interactions energy: -1482.523 where: short stacking energy: -672.666 Base-Backbone interact. energy: 0.287 local terms energy: -686.666414 where: bonds (distance) C4'-P energy: -138.439 bonds (distance) P-C4' energy: -139.284 flat angles C4'-P-C4' energy: -135.232 flat angles P-C4'-P energy: -112.430 tors. eta vs tors. theta energy: -161.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1895.600109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.600109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.600109 (E_RNA) where: Base-Base interactions energy: -1272.512 where: short stacking energy: -574.014 Base-Backbone interact. energy: 1.282 local terms energy: -624.370290 where: bonds (distance) C4'-P energy: -124.955 bonds (distance) P-C4' energy: -125.062 flat angles C4'-P-C4' energy: -158.264 flat angles P-C4'-P energy: -78.823 tors. eta vs tors. theta energy: -137.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1671.884559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.884559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.884559 (E_RNA) where: Base-Base interactions energy: -1095.108 where: short stacking energy: -481.278 Base-Backbone interact. energy: 2.042 local terms energy: -578.818654 where: bonds (distance) C4'-P energy: -121.475 bonds (distance) P-C4' energy: -129.632 flat angles C4'-P-C4' energy: -158.467 flat angles P-C4'-P energy: -75.580 tors. eta vs tors. theta energy: -93.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1219.655734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.655734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.655734 (E_RNA) where: Base-Base interactions energy: -752.901 where: short stacking energy: -365.050 Base-Backbone interact. energy: 4.049 local terms energy: -470.803413 where: bonds (distance) C4'-P energy: -120.138 bonds (distance) P-C4' energy: -120.701 flat angles C4'-P-C4' energy: -129.431 flat angles P-C4'-P energy: -76.784 tors. eta vs tors. theta energy: -23.749 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: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2958.528096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.528096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.528096 (E_RNA) where: Base-Base interactions energy: -2092.280 where: short stacking energy: -888.831 Base-Backbone interact. energy: -5.048 local terms energy: -861.200840 where: bonds (distance) C4'-P energy: -157.641 bonds (distance) P-C4' energy: -162.220 flat angles C4'-P-C4' energy: -178.218 flat angles P-C4'-P energy: -119.701 tors. eta vs tors. theta energy: -243.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2867.376104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.376104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.376104 (E_RNA) where: Base-Base interactions energy: -2044.552 where: short stacking energy: -863.939 Base-Backbone interact. energy: -0.979 local terms energy: -821.844885 where: bonds (distance) C4'-P energy: -149.618 bonds (distance) P-C4' energy: -156.178 flat angles C4'-P-C4' energy: -173.588 flat angles P-C4'-P energy: -121.014 tors. eta vs tors. theta energy: -221.446 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: 2 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2812.196438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.196438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.196438 (E_RNA) where: Base-Base interactions energy: -2011.290 where: short stacking energy: -824.411 Base-Backbone interact. energy: -5.109 local terms energy: -795.797297 where: bonds (distance) C4'-P energy: -159.024 bonds (distance) P-C4' energy: -155.988 flat angles C4'-P-C4' energy: -159.637 flat angles P-C4'-P energy: -103.851 tors. eta vs tors. theta energy: -217.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2655.725827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.725827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.725827 (E_RNA) where: Base-Base interactions energy: -1865.830 where: short stacking energy: -808.315 Base-Backbone interact. energy: -1.469 local terms energy: -788.426828 where: bonds (distance) C4'-P energy: -128.910 bonds (distance) P-C4' energy: -151.893 flat angles C4'-P-C4' energy: -176.797 flat angles P-C4'-P energy: -111.616 tors. eta vs tors. theta energy: -219.211 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: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2634.371479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.371479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.371479 (E_RNA) where: Base-Base interactions energy: -1896.701 where: short stacking energy: -775.528 Base-Backbone interact. energy: -2.490 local terms energy: -735.180079 where: bonds (distance) C4'-P energy: -137.704 bonds (distance) P-C4' energy: -138.681 flat angles C4'-P-C4' energy: -164.193 flat angles P-C4'-P energy: -100.711 tors. eta vs tors. theta energy: -193.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2488.550758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.550758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.550758 (E_RNA) where: Base-Base interactions energy: -1782.457 where: short stacking energy: -738.575 Base-Backbone interact. energy: 2.607 local terms energy: -708.700515 where: bonds (distance) C4'-P energy: -110.524 bonds (distance) P-C4' energy: -139.709 flat angles C4'-P-C4' energy: -156.752 flat angles P-C4'-P energy: -103.681 tors. eta vs tors. theta energy: -198.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2233.316745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.316745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.316745 (E_RNA) where: Base-Base interactions energy: -1523.845 where: short stacking energy: -650.624 Base-Backbone interact. energy: -1.945 local terms energy: -707.526532 where: bonds (distance) C4'-P energy: -137.672 bonds (distance) P-C4' energy: -165.497 flat angles C4'-P-C4' energy: -140.915 flat angles P-C4'-P energy: -100.221 tors. eta vs tors. theta energy: -163.221 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: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -2002.189092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.189092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.189092 (E_RNA) where: Base-Base interactions energy: -1397.477 where: short stacking energy: -584.436 Base-Backbone interact. energy: -0.718 local terms energy: -603.994383 where: bonds (distance) C4'-P energy: -113.600 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -132.322 flat angles P-C4'-P energy: -83.325 tors. eta vs tors. theta energy: -129.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1805.060488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.060488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.060488 (E_RNA) where: Base-Base interactions energy: -1197.257 where: short stacking energy: -535.730 Base-Backbone interact. energy: 0.055 local terms energy: -607.858538 where: bonds (distance) C4'-P energy: -129.673 bonds (distance) P-C4' energy: -134.251 flat angles C4'-P-C4' energy: -137.261 flat angles P-C4'-P energy: -86.426 tors. eta vs tors. theta energy: -120.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1176.145622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.145622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.145622 (E_RNA) where: Base-Base interactions energy: -698.138 where: short stacking energy: -335.783 Base-Backbone interact. energy: -1.250 local terms energy: -476.757540 where: bonds (distance) C4'-P energy: -114.416 bonds (distance) P-C4' energy: -137.165 flat angles C4'-P-C4' energy: -112.233 flat angles P-C4'-P energy: -75.502 tors. eta vs tors. theta energy: -37.442 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: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2950.268125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.268125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.268125 (E_RNA) where: Base-Base interactions energy: -2086.776 where: short stacking energy: -916.175 Base-Backbone interact. energy: -4.108 local terms energy: -859.383787 where: bonds (distance) C4'-P energy: -149.731 bonds (distance) P-C4' energy: -167.304 flat angles C4'-P-C4' energy: -186.192 flat angles P-C4'-P energy: -111.721 tors. eta vs tors. theta energy: -244.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2891.719873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.719873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.719873 (E_RNA) where: Base-Base interactions energy: -2063.287 where: short stacking energy: -906.968 Base-Backbone interact. energy: 0.157 local terms energy: -828.589702 where: bonds (distance) C4'-P energy: -150.173 bonds (distance) P-C4' energy: -150.782 flat angles C4'-P-C4' energy: -184.236 flat angles P-C4'-P energy: -112.010 tors. eta vs tors. theta energy: -231.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2818.415794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.415794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.415794 (E_RNA) where: Base-Base interactions energy: -2009.581 where: short stacking energy: -840.218 Base-Backbone interact. energy: 6.609 local terms energy: -815.443538 where: bonds (distance) C4'-P energy: -139.517 bonds (distance) P-C4' energy: -167.296 flat angles C4'-P-C4' energy: -175.737 flat angles P-C4'-P energy: -114.384 tors. eta vs tors. theta energy: -218.510 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: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2651.693983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.693983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.693983 (E_RNA) where: Base-Base interactions energy: -1820.006 where: short stacking energy: -798.411 Base-Backbone interact. energy: -2.521 local terms energy: -829.166819 where: bonds (distance) C4'-P energy: -165.100 bonds (distance) P-C4' energy: -155.240 flat angles C4'-P-C4' energy: -176.445 flat angles P-C4'-P energy: -116.201 tors. eta vs tors. theta energy: -216.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2604.486788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.486788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.486788 (E_RNA) where: Base-Base interactions energy: -1854.596 where: short stacking energy: -777.923 Base-Backbone interact. energy: 5.069 local terms energy: -754.959149 where: bonds (distance) C4'-P energy: -143.258 bonds (distance) P-C4' energy: -155.625 flat angles C4'-P-C4' energy: -155.855 flat angles P-C4'-P energy: -110.387 tors. eta vs tors. theta energy: -189.834 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: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2464.837343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.837343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.837343 (E_RNA) where: Base-Base interactions energy: -1753.894 where: short stacking energy: -685.904 Base-Backbone interact. energy: -0.180 local terms energy: -710.763176 where: bonds (distance) C4'-P energy: -138.697 bonds (distance) P-C4' energy: -125.955 flat angles C4'-P-C4' energy: -160.456 flat angles P-C4'-P energy: -117.875 tors. eta vs tors. theta energy: -167.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2227.225765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.225765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.225765 (E_RNA) where: Base-Base interactions energy: -1561.662 where: short stacking energy: -717.192 Base-Backbone interact. energy: -1.114 local terms energy: -664.449645 where: bonds (distance) C4'-P energy: -129.587 bonds (distance) P-C4' energy: -122.401 flat angles C4'-P-C4' energy: -150.377 flat angles P-C4'-P energy: -77.269 tors. eta vs tors. theta energy: -184.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1945.358769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.358769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.358769 (E_RNA) where: Base-Base interactions energy: -1345.948 where: short stacking energy: -589.922 Base-Backbone interact. energy: 4.124 local terms energy: -603.534704 where: bonds (distance) C4'-P energy: -115.635 bonds (distance) P-C4' energy: -129.323 flat angles C4'-P-C4' energy: -144.603 flat angles P-C4'-P energy: -86.846 tors. eta vs tors. theta energy: -127.129 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: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1710.528945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.528945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.528945 (E_RNA) where: Base-Base interactions energy: -1112.145 where: short stacking energy: -497.748 Base-Backbone interact. energy: -2.701 local terms energy: -595.683059 where: bonds (distance) C4'-P energy: -115.461 bonds (distance) P-C4' energy: -144.406 flat angles C4'-P-C4' energy: -136.492 flat angles P-C4'-P energy: -89.253 tors. eta vs tors. theta energy: -110.071 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: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1152.476226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.476226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.476226 (E_RNA) where: Base-Base interactions energy: -722.704 where: short stacking energy: -369.403 Base-Backbone interact. energy: -0.393 local terms energy: -429.379061 where: bonds (distance) C4'-P energy: -121.977 bonds (distance) P-C4' energy: -108.907 flat angles C4'-P-C4' energy: -103.791 flat angles P-C4'-P energy: -68.367 tors. eta vs tors. theta energy: -26.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2982.899599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.899599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.899599 (E_RNA) where: Base-Base interactions energy: -2111.454 where: short stacking energy: -908.477 Base-Backbone interact. energy: -2.080 local terms energy: -869.364954 where: bonds (distance) C4'-P energy: -153.763 bonds (distance) P-C4' energy: -152.482 flat angles C4'-P-C4' energy: -184.125 flat angles P-C4'-P energy: -135.084 tors. eta vs tors. theta energy: -243.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2874.416843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.416843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.416843 (E_RNA) where: Base-Base interactions energy: -2016.408 where: short stacking energy: -865.074 Base-Backbone interact. energy: -2.740 local terms energy: -855.268721 where: bonds (distance) C4'-P energy: -157.392 bonds (distance) P-C4' energy: -154.509 flat angles C4'-P-C4' energy: -180.263 flat angles P-C4'-P energy: -125.827 tors. eta vs tors. theta energy: -237.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2815.780830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.780830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.780830 (E_RNA) where: Base-Base interactions energy: -2011.693 where: short stacking energy: -863.823 Base-Backbone interact. energy: -0.100 local terms energy: -803.988724 where: bonds (distance) C4'-P energy: -134.003 bonds (distance) P-C4' energy: -168.795 flat angles C4'-P-C4' energy: -171.939 flat angles P-C4'-P energy: -121.833 tors. eta vs tors. theta energy: -207.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2678.191128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.191128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.191128 (E_RNA) where: Base-Base interactions energy: -1898.049 where: short stacking energy: -797.532 Base-Backbone interact. energy: -2.130 local terms energy: -778.012157 where: bonds (distance) C4'-P energy: -141.020 bonds (distance) P-C4' energy: -152.149 flat angles C4'-P-C4' energy: -171.270 flat angles P-C4'-P energy: -99.754 tors. eta vs tors. theta energy: -213.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2576.183958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.183958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.183958 (E_RNA) where: Base-Base interactions energy: -1848.928 where: short stacking energy: -751.790 Base-Backbone interact. energy: 2.531 local terms energy: -729.787741 where: bonds (distance) C4'-P energy: -144.760 bonds (distance) P-C4' energy: -149.227 flat angles C4'-P-C4' energy: -162.874 flat angles P-C4'-P energy: -102.098 tors. eta vs tors. theta energy: -170.829 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: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2459.090187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.090187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.090187 (E_RNA) where: Base-Base interactions energy: -1741.739 where: short stacking energy: -726.743 Base-Backbone interact. energy: -1.338 local terms energy: -716.012865 where: bonds (distance) C4'-P energy: -117.783 bonds (distance) P-C4' energy: -149.341 flat angles C4'-P-C4' energy: -153.575 flat angles P-C4'-P energy: -106.720 tors. eta vs tors. theta energy: -188.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -2229.196379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.196379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.196379 (E_RNA) where: Base-Base interactions energy: -1525.515 where: short stacking energy: -645.538 Base-Backbone interact. energy: 5.326 local terms energy: -709.007405 where: bonds (distance) C4'-P energy: -136.552 bonds (distance) P-C4' energy: -141.923 flat angles C4'-P-C4' energy: -149.899 flat angles P-C4'-P energy: -97.365 tors. eta vs tors. theta energy: -183.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -2025.984330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.984330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.984330 (E_RNA) where: Base-Base interactions energy: -1396.845 where: short stacking energy: -614.703 Base-Backbone interact. energy: -0.009 local terms energy: -629.129580 where: bonds (distance) C4'-P energy: -126.288 bonds (distance) P-C4' energy: -123.945 flat angles C4'-P-C4' energy: -133.866 flat angles P-C4'-P energy: -106.012 tors. eta vs tors. theta energy: -139.018 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: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1771.564709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.564709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.564709 (E_RNA) where: Base-Base interactions energy: -1171.014 where: short stacking energy: -546.532 Base-Backbone interact. energy: -7.281 local terms energy: -593.268929 where: bonds (distance) C4'-P energy: -134.457 bonds (distance) P-C4' energy: -126.727 flat angles C4'-P-C4' energy: -143.671 flat angles P-C4'-P energy: -71.909 tors. eta vs tors. theta energy: -116.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1179.936320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.936320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.936320 (E_RNA) where: Base-Base interactions energy: -725.719 where: short stacking energy: -348.317 Base-Backbone interact. energy: -1.756 local terms energy: -452.461948 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -121.154 flat angles C4'-P-C4' energy: -111.387 flat angles P-C4'-P energy: -60.242 tors. eta vs tors. theta energy: -42.216 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: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2952.725588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.725588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.725588 (E_RNA) where: Base-Base interactions energy: -2100.854 where: short stacking energy: -893.943 Base-Backbone interact. energy: -2.669 local terms energy: -849.202875 where: bonds (distance) C4'-P energy: -160.443 bonds (distance) P-C4' energy: -165.211 flat angles C4'-P-C4' energy: -176.151 flat angles P-C4'-P energy: -108.948 tors. eta vs tors. theta energy: -238.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2884.257195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.257195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.257195 (E_RNA) where: Base-Base interactions energy: -2064.591 where: short stacking energy: -885.786 Base-Backbone interact. energy: -3.414 local terms energy: -816.252586 where: bonds (distance) C4'-P energy: -148.398 bonds (distance) P-C4' energy: -155.112 flat angles C4'-P-C4' energy: -186.365 flat angles P-C4'-P energy: -101.749 tors. eta vs tors. theta energy: -224.629 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: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2765.581480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.581480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.581480 (E_RNA) where: Base-Base interactions energy: -1963.743 where: short stacking energy: -843.089 Base-Backbone interact. energy: 1.820 local terms energy: -803.658119 where: bonds (distance) C4'-P energy: -147.342 bonds (distance) P-C4' energy: -146.514 flat angles C4'-P-C4' energy: -179.161 flat angles P-C4'-P energy: -110.114 tors. eta vs tors. theta energy: -220.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2662.052226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.052226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.052226 (E_RNA) where: Base-Base interactions energy: -1874.727 where: short stacking energy: -806.225 Base-Backbone interact. energy: -2.601 local terms energy: -784.723750 where: bonds (distance) C4'-P energy: -144.921 bonds (distance) P-C4' energy: -141.335 flat angles C4'-P-C4' energy: -172.098 flat angles P-C4'-P energy: -118.511 tors. eta vs tors. theta energy: -207.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2564.733423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.733423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.733423 (E_RNA) where: Base-Base interactions energy: -1853.362 where: short stacking energy: -774.896 Base-Backbone interact. energy: -2.637 local terms energy: -708.734367 where: bonds (distance) C4'-P energy: -125.064 bonds (distance) P-C4' energy: -128.324 flat angles C4'-P-C4' energy: -167.940 flat angles P-C4'-P energy: -94.132 tors. eta vs tors. theta energy: -193.274 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: 10 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2480.747407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.747407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.747407 (E_RNA) where: Base-Base interactions energy: -1769.893 where: short stacking energy: -749.342 Base-Backbone interact. energy: -0.658 local terms energy: -710.195741 where: bonds (distance) C4'-P energy: -126.793 bonds (distance) P-C4' energy: -124.785 flat angles C4'-P-C4' energy: -168.226 flat angles P-C4'-P energy: -99.948 tors. eta vs tors. theta energy: -190.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2165.696474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.696474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.696474 (E_RNA) where: Base-Base interactions energy: -1494.786 where: short stacking energy: -645.252 Base-Backbone interact. energy: -0.454 local terms energy: -670.455477 where: bonds (distance) C4'-P energy: -136.241 bonds (distance) P-C4' energy: -131.302 flat angles C4'-P-C4' energy: -149.029 flat angles P-C4'-P energy: -88.918 tors. eta vs tors. theta energy: -164.965 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: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -2039.845090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.845090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.845090 (E_RNA) where: Base-Base interactions energy: -1443.663 where: short stacking energy: -633.194 Base-Backbone interact. energy: -0.446 local terms energy: -595.735629 where: bonds (distance) C4'-P energy: -114.566 bonds (distance) P-C4' energy: -125.449 flat angles C4'-P-C4' energy: -127.287 flat angles P-C4'-P energy: -74.849 tors. eta vs tors. theta energy: -153.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1728.149901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.149901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.149901 (E_RNA) where: Base-Base interactions energy: -1185.665 where: short stacking energy: -513.090 Base-Backbone interact. energy: 6.499 local terms energy: -548.983503 where: bonds (distance) C4'-P energy: -115.069 bonds (distance) P-C4' energy: -128.502 flat angles C4'-P-C4' energy: -117.372 flat angles P-C4'-P energy: -98.511 tors. eta vs tors. theta energy: -89.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1173.556738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.556738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.556738 (E_RNA) where: Base-Base interactions energy: -723.272 where: short stacking energy: -368.464 Base-Backbone interact. energy: -1.565 local terms energy: -448.719994 where: bonds (distance) C4'-P energy: -95.370 bonds (distance) P-C4' energy: -133.556 flat angles C4'-P-C4' energy: -115.232 flat angles P-C4'-P energy: -61.277 tors. eta vs tors. theta energy: -43.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2964.399313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.399313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.399313 (E_RNA) where: Base-Base interactions energy: -2105.889 where: short stacking energy: -907.804 Base-Backbone interact. energy: -4.120 local terms energy: -854.390601 where: bonds (distance) C4'-P energy: -147.826 bonds (distance) P-C4' energy: -157.991 flat angles C4'-P-C4' energy: -194.486 flat angles P-C4'-P energy: -120.452 tors. eta vs tors. theta energy: -233.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2860.591311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.591311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.591311 (E_RNA) where: Base-Base interactions energy: -2017.562 where: short stacking energy: -852.462 Base-Backbone interact. energy: -3.108 local terms energy: -839.921245 where: bonds (distance) C4'-P energy: -160.536 bonds (distance) P-C4' energy: -143.070 flat angles C4'-P-C4' energy: -186.658 flat angles P-C4'-P energy: -116.707 tors. eta vs tors. theta energy: -232.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2784.697131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.697131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.697131 (E_RNA) where: Base-Base interactions energy: -1985.707 where: short stacking energy: -816.791 Base-Backbone interact. energy: 0.928 local terms energy: -799.917663 where: bonds (distance) C4'-P energy: -151.605 bonds (distance) P-C4' energy: -140.779 flat angles C4'-P-C4' energy: -173.010 flat angles P-C4'-P energy: -114.480 tors. eta vs tors. theta energy: -220.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2675.289263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.289263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.289263 (E_RNA) where: Base-Base interactions energy: -1873.157 where: short stacking energy: -830.120 Base-Backbone interact. energy: -0.654 local terms energy: -801.478050 where: bonds (distance) C4'-P energy: -137.632 bonds (distance) P-C4' energy: -159.808 flat angles C4'-P-C4' energy: -174.141 flat angles P-C4'-P energy: -112.029 tors. eta vs tors. theta energy: -217.869 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: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2565.202356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.202356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.202356 (E_RNA) where: Base-Base interactions energy: -1845.382 where: short stacking energy: -740.701 Base-Backbone interact. energy: -0.751 local terms energy: -719.069154 where: bonds (distance) C4'-P energy: -128.138 bonds (distance) P-C4' energy: -143.668 flat angles C4'-P-C4' energy: -160.876 flat angles P-C4'-P energy: -102.958 tors. eta vs tors. theta energy: -183.429 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: 6, replica: 10 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2439.857719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.857719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.857719 (E_RNA) where: Base-Base interactions energy: -1751.834 where: short stacking energy: -698.419 Base-Backbone interact. energy: -4.752 local terms energy: -683.271411 where: bonds (distance) C4'-P energy: -144.968 bonds (distance) P-C4' energy: -120.978 flat angles C4'-P-C4' energy: -148.300 flat angles P-C4'-P energy: -89.326 tors. eta vs tors. theta energy: -179.699 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: 7 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2200.076766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.076766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.076766 (E_RNA) where: Base-Base interactions energy: -1530.835 where: short stacking energy: -713.439 Base-Backbone interact. energy: -1.772 local terms energy: -667.469238 where: bonds (distance) C4'-P energy: -119.632 bonds (distance) P-C4' energy: -135.940 flat angles C4'-P-C4' energy: -158.085 flat angles P-C4'-P energy: -75.262 tors. eta vs tors. theta energy: -178.550 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: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -2047.849267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.849267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.849267 (E_RNA) where: Base-Base interactions energy: -1449.654 where: short stacking energy: -632.344 Base-Backbone interact. energy: 5.127 local terms energy: -603.322296 where: bonds (distance) C4'-P energy: -117.654 bonds (distance) P-C4' energy: -119.897 flat angles C4'-P-C4' energy: -137.612 flat angles P-C4'-P energy: -88.386 tors. eta vs tors. theta energy: -139.773 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: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1751.946257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.946257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.946257 (E_RNA) where: Base-Base interactions energy: -1126.179 where: short stacking energy: -517.034 Base-Backbone interact. energy: 1.182 local terms energy: -626.949408 where: bonds (distance) C4'-P energy: -124.009 bonds (distance) P-C4' energy: -140.476 flat angles C4'-P-C4' energy: -154.671 flat angles P-C4'-P energy: -96.442 tors. eta vs tors. theta energy: -111.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1216.821323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.821323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.821323 (E_RNA) where: Base-Base interactions energy: -722.776 where: short stacking energy: -339.488 Base-Backbone interact. energy: 4.883 local terms energy: -498.928584 where: bonds (distance) C4'-P energy: -129.048 bonds (distance) P-C4' energy: -135.050 flat angles C4'-P-C4' energy: -111.907 flat angles P-C4'-P energy: -89.137 tors. eta vs tors. theta energy: -33.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2964.796514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.796514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.796514 (E_RNA) where: Base-Base interactions energy: -2103.739 where: short stacking energy: -899.002 Base-Backbone interact. energy: -5.464 local terms energy: -855.593689 where: bonds (distance) C4'-P energy: -154.137 bonds (distance) P-C4' energy: -173.261 flat angles C4'-P-C4' energy: -175.919 flat angles P-C4'-P energy: -112.471 tors. eta vs tors. theta energy: -239.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2846.577549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.577549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.577549 (E_RNA) where: Base-Base interactions energy: -2014.595 where: short stacking energy: -857.133 Base-Backbone interact. energy: -1.102 local terms energy: -830.880890 where: bonds (distance) C4'-P energy: -169.298 bonds (distance) P-C4' energy: -153.682 flat angles C4'-P-C4' energy: -176.476 flat angles P-C4'-P energy: -105.174 tors. eta vs tors. theta energy: -226.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2804.701493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.701493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.701493 (E_RNA) where: Base-Base interactions energy: -1994.678 where: short stacking energy: -825.515 Base-Backbone interact. energy: 8.931 local terms energy: -818.955338 where: bonds (distance) C4'-P energy: -154.711 bonds (distance) P-C4' energy: -143.710 flat angles C4'-P-C4' energy: -188.631 flat angles P-C4'-P energy: -122.190 tors. eta vs tors. theta energy: -209.713 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: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2675.394449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.394449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.394449 (E_RNA) where: Base-Base interactions energy: -1892.454 where: short stacking energy: -801.020 Base-Backbone interact. energy: -3.933 local terms energy: -779.007934 where: bonds (distance) C4'-P energy: -132.464 bonds (distance) P-C4' energy: -145.698 flat angles C4'-P-C4' energy: -172.444 flat angles P-C4'-P energy: -117.593 tors. eta vs tors. theta energy: -210.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2562.270460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.270460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.270460 (E_RNA) where: Base-Base interactions energy: -1852.349 where: short stacking energy: -731.916 Base-Backbone interact. energy: 0.806 local terms energy: -710.728069 where: bonds (distance) C4'-P energy: -120.927 bonds (distance) P-C4' energy: -143.751 flat angles C4'-P-C4' energy: -149.069 flat angles P-C4'-P energy: -112.204 tors. eta vs tors. theta energy: -184.778 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: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2446.636039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.636039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.636039 (E_RNA) where: Base-Base interactions energy: -1747.075 where: short stacking energy: -716.453 Base-Backbone interact. energy: -0.052 local terms energy: -699.509330 where: bonds (distance) C4'-P energy: -113.297 bonds (distance) P-C4' energy: -147.485 flat angles C4'-P-C4' energy: -163.082 flat angles P-C4'-P energy: -85.150 tors. eta vs tors. theta energy: -190.496 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: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2194.059894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.059894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.059894 (E_RNA) where: Base-Base interactions energy: -1493.899 where: short stacking energy: -657.751 Base-Backbone interact. energy: -1.365 local terms energy: -698.796614 where: bonds (distance) C4'-P energy: -138.853 bonds (distance) P-C4' energy: -146.170 flat angles C4'-P-C4' energy: -153.491 flat angles P-C4'-P energy: -77.402 tors. eta vs tors. theta energy: -182.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -2040.382957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.382957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.382957 (E_RNA) where: Base-Base interactions energy: -1408.815 where: short stacking energy: -628.693 Base-Backbone interact. energy: -5.268 local terms energy: -626.300598 where: bonds (distance) C4'-P energy: -134.471 bonds (distance) P-C4' energy: -118.871 flat angles C4'-P-C4' energy: -137.947 flat angles P-C4'-P energy: -86.673 tors. eta vs tors. theta energy: -148.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1706.336898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.336898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.336898 (E_RNA) where: Base-Base interactions energy: -1147.003 where: short stacking energy: -503.588 Base-Backbone interact. energy: 1.653 local terms energy: -560.986994 where: bonds (distance) C4'-P energy: -116.703 bonds (distance) P-C4' energy: -144.902 flat angles C4'-P-C4' energy: -129.544 flat angles P-C4'-P energy: -73.988 tors. eta vs tors. theta energy: -95.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1222.819700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.819700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.819700 (E_RNA) where: Base-Base interactions energy: -748.864 where: short stacking energy: -371.204 Base-Backbone interact. energy: 9.550 local terms energy: -483.505283 where: bonds (distance) C4'-P energy: -99.784 bonds (distance) P-C4' energy: -133.602 flat angles C4'-P-C4' energy: -112.214 flat angles P-C4'-P energy: -78.482 tors. eta vs tors. theta energy: -59.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2970.624186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.624186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.624186 (E_RNA) where: Base-Base interactions energy: -2079.670 where: short stacking energy: -888.853 Base-Backbone interact. energy: -2.893 local terms energy: -888.060642 where: bonds (distance) C4'-P energy: -162.625 bonds (distance) P-C4' energy: -165.876 flat angles C4'-P-C4' energy: -196.318 flat angles P-C4'-P energy: -123.927 tors. eta vs tors. theta energy: -239.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2889.716364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.716364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.716364 (E_RNA) where: Base-Base interactions energy: -2023.909 where: short stacking energy: -855.080 Base-Backbone interact. energy: 1.495 local terms energy: -867.302334 where: bonds (distance) C4'-P energy: -160.775 bonds (distance) P-C4' energy: -157.588 flat angles C4'-P-C4' energy: -188.041 flat angles P-C4'-P energy: -133.589 tors. eta vs tors. theta energy: -227.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2790.856876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.856876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.856876 (E_RNA) where: Base-Base interactions energy: -2018.179 where: short stacking energy: -810.408 Base-Backbone interact. energy: 1.134 local terms energy: -773.812089 where: bonds (distance) C4'-P energy: -143.912 bonds (distance) P-C4' energy: -156.008 flat angles C4'-P-C4' energy: -172.351 flat angles P-C4'-P energy: -100.097 tors. eta vs tors. theta energy: -201.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2657.327060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.327060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.327060 (E_RNA) where: Base-Base interactions energy: -1861.371 where: short stacking energy: -790.983 Base-Backbone interact. energy: -4.489 local terms energy: -791.466680 where: bonds (distance) C4'-P energy: -136.432 bonds (distance) P-C4' energy: -159.504 flat angles C4'-P-C4' energy: -169.845 flat angles P-C4'-P energy: -114.076 tors. eta vs tors. theta energy: -211.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2553.621955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.621955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.621955 (E_RNA) where: Base-Base interactions energy: -1807.327 where: short stacking energy: -721.060 Base-Backbone interact. energy: -3.069 local terms energy: -743.225517 where: bonds (distance) C4'-P energy: -140.886 bonds (distance) P-C4' energy: -139.008 flat angles C4'-P-C4' energy: -168.526 flat angles P-C4'-P energy: -113.574 tors. eta vs tors. theta energy: -181.231 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: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2429.680916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.680916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.680916 (E_RNA) where: Base-Base interactions energy: -1710.430 where: short stacking energy: -700.537 Base-Backbone interact. energy: -2.781 local terms energy: -716.469317 where: bonds (distance) C4'-P energy: -138.572 bonds (distance) P-C4' energy: -147.694 flat angles C4'-P-C4' energy: -144.482 flat angles P-C4'-P energy: -114.440 tors. eta vs tors. theta energy: -171.281 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: 7 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2189.065560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.065560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.065560 (E_RNA) where: Base-Base interactions energy: -1484.796 where: short stacking energy: -661.524 Base-Backbone interact. energy: -3.340 local terms energy: -700.930035 where: bonds (distance) C4'-P energy: -154.242 bonds (distance) P-C4' energy: -132.536 flat angles C4'-P-C4' energy: -143.213 flat angles P-C4'-P energy: -94.748 tors. eta vs tors. theta energy: -176.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1950.651559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.651559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.651559 (E_RNA) where: Base-Base interactions energy: -1335.798 where: short stacking energy: -581.775 Base-Backbone interact. energy: -4.869 local terms energy: -609.984724 where: bonds (distance) C4'-P energy: -115.271 bonds (distance) P-C4' energy: -147.163 flat angles C4'-P-C4' energy: -140.210 flat angles P-C4'-P energy: -80.850 tors. eta vs tors. theta energy: -126.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1734.749249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.749249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.749249 (E_RNA) where: Base-Base interactions energy: -1137.893 where: short stacking energy: -527.355 Base-Backbone interact. energy: -2.297 local terms energy: -594.558907 where: bonds (distance) C4'-P energy: -120.689 bonds (distance) P-C4' energy: -135.713 flat angles C4'-P-C4' energy: -142.943 flat angles P-C4'-P energy: -85.570 tors. eta vs tors. theta energy: -109.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1134.780535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.780535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.780535 (E_RNA) where: Base-Base interactions energy: -697.033 where: short stacking energy: -344.433 Base-Backbone interact. energy: 1.050 local terms energy: -438.797799 where: bonds (distance) C4'-P energy: -102.222 bonds (distance) P-C4' energy: -118.793 flat angles C4'-P-C4' energy: -129.475 flat angles P-C4'-P energy: -53.472 tors. eta vs tors. theta energy: -34.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2964.812873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.812873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.812873 (E_RNA) where: Base-Base interactions energy: -2111.787 where: short stacking energy: -872.658 Base-Backbone interact. energy: 0.817 local terms energy: -853.842608 where: bonds (distance) C4'-P energy: -155.433 bonds (distance) P-C4' energy: -174.334 flat angles C4'-P-C4' energy: -190.182 flat angles P-C4'-P energy: -102.065 tors. eta vs tors. theta energy: -231.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2871.016760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.016760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.016760 (E_RNA) where: Base-Base interactions energy: -2011.994 where: short stacking energy: -863.852 Base-Backbone interact. energy: -8.362 local terms energy: -850.661106 where: bonds (distance) C4'-P energy: -170.278 bonds (distance) P-C4' energy: -142.404 flat angles C4'-P-C4' energy: -179.100 flat angles P-C4'-P energy: -121.422 tors. eta vs tors. theta energy: -237.457 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: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2780.718024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.718024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.718024 (E_RNA) where: Base-Base interactions energy: -1991.737 where: short stacking energy: -809.258 Base-Backbone interact. energy: 1.573 local terms energy: -790.553798 where: bonds (distance) C4'-P energy: -153.090 bonds (distance) P-C4' energy: -153.472 flat angles C4'-P-C4' energy: -164.413 flat angles P-C4'-P energy: -108.744 tors. eta vs tors. theta energy: -210.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2655.611784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.611784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.611784 (E_RNA) where: Base-Base interactions energy: -1876.716 where: short stacking energy: -817.357 Base-Backbone interact. energy: -3.548 local terms energy: -775.347284 where: bonds (distance) C4'-P energy: -137.243 bonds (distance) P-C4' energy: -138.166 flat angles C4'-P-C4' energy: -161.614 flat angles P-C4'-P energy: -126.120 tors. eta vs tors. theta energy: -212.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2585.038454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.038454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.038454 (E_RNA) where: Base-Base interactions energy: -1856.218 where: short stacking energy: -756.095 Base-Backbone interact. energy: 0.939 local terms energy: -729.759481 where: bonds (distance) C4'-P energy: -127.280 bonds (distance) P-C4' energy: -136.959 flat angles C4'-P-C4' energy: -175.228 flat angles P-C4'-P energy: -101.529 tors. eta vs tors. theta energy: -188.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2400.981155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.981155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.981155 (E_RNA) where: Base-Base interactions energy: -1703.164 where: short stacking energy: -732.676 Base-Backbone interact. energy: -2.155 local terms energy: -695.662368 where: bonds (distance) C4'-P energy: -147.266 bonds (distance) P-C4' energy: -124.736 flat angles C4'-P-C4' energy: -154.658 flat angles P-C4'-P energy: -96.298 tors. eta vs tors. theta energy: -172.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2131.798039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.798039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.798039 (E_RNA) where: Base-Base interactions energy: -1475.847 where: short stacking energy: -687.763 Base-Backbone interact. energy: -1.675 local terms energy: -654.275653 where: bonds (distance) C4'-P energy: -126.053 bonds (distance) P-C4' energy: -108.027 flat angles C4'-P-C4' energy: -154.494 flat angles P-C4'-P energy: -98.086 tors. eta vs tors. theta energy: -167.616 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: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1988.968312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.968312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.968312 (E_RNA) where: Base-Base interactions energy: -1355.030 where: short stacking energy: -570.498 Base-Backbone interact. energy: 9.730 local terms energy: -643.668111 where: bonds (distance) C4'-P energy: -128.630 bonds (distance) P-C4' energy: -141.238 flat angles C4'-P-C4' energy: -135.142 flat angles P-C4'-P energy: -94.745 tors. eta vs tors. theta energy: -143.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1799.042714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.042714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.042714 (E_RNA) where: Base-Base interactions energy: -1215.868 where: short stacking energy: -548.811 Base-Backbone interact. energy: -0.180 local terms energy: -582.995262 where: bonds (distance) C4'-P energy: -125.341 bonds (distance) P-C4' energy: -134.468 flat angles C4'-P-C4' energy: -135.274 flat angles P-C4'-P energy: -82.423 tors. eta vs tors. theta energy: -105.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1173.804663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.804663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.804663 (E_RNA) where: Base-Base interactions energy: -705.352 where: short stacking energy: -348.967 Base-Backbone interact. energy: 1.700 local terms energy: -470.153217 where: bonds (distance) C4'-P energy: -121.368 bonds (distance) P-C4' energy: -135.709 flat angles C4'-P-C4' energy: -112.368 flat angles P-C4'-P energy: -75.891 tors. eta vs tors. theta energy: -24.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2963.999015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.999015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.999015 (E_RNA) where: Base-Base interactions energy: -2112.429 where: short stacking energy: -910.211 Base-Backbone interact. energy: -5.895 local terms energy: -845.675735 where: bonds (distance) C4'-P energy: -159.964 bonds (distance) P-C4' energy: -155.407 flat angles C4'-P-C4' energy: -193.303 flat angles P-C4'-P energy: -105.834 tors. eta vs tors. theta energy: -231.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2887.737898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.737898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.737898 (E_RNA) where: Base-Base interactions energy: -2026.530 where: short stacking energy: -882.527 Base-Backbone interact. energy: -4.278 local terms energy: -856.930040 where: bonds (distance) C4'-P energy: -156.498 bonds (distance) P-C4' energy: -157.082 flat angles C4'-P-C4' energy: -171.029 flat angles P-C4'-P energy: -133.119 tors. eta vs tors. theta energy: -239.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2818.470154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.470154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.470154 (E_RNA) where: Base-Base interactions energy: -2017.009 where: short stacking energy: -817.385 Base-Backbone interact. energy: -1.040 local terms energy: -800.420585 where: bonds (distance) C4'-P energy: -156.307 bonds (distance) P-C4' energy: -135.071 flat angles C4'-P-C4' energy: -175.187 flat angles P-C4'-P energy: -124.679 tors. eta vs tors. theta energy: -209.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2667.338070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.338070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.338070 (E_RNA) where: Base-Base interactions energy: -1873.843 where: short stacking energy: -813.729 Base-Backbone interact. energy: -2.454 local terms energy: -791.041047 where: bonds (distance) C4'-P energy: -132.596 bonds (distance) P-C4' energy: -148.855 flat angles C4'-P-C4' energy: -169.408 flat angles P-C4'-P energy: -120.279 tors. eta vs tors. theta energy: -219.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2615.418456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.418456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.418456 (E_RNA) where: Base-Base interactions energy: -1863.233 where: short stacking energy: -769.530 Base-Backbone interact. energy: -1.929 local terms energy: -750.255913 where: bonds (distance) C4'-P energy: -147.930 bonds (distance) P-C4' energy: -128.814 flat angles C4'-P-C4' energy: -162.803 flat angles P-C4'-P energy: -112.644 tors. eta vs tors. theta energy: -198.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2404.198776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.198776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.198776 (E_RNA) where: Base-Base interactions energy: -1676.924 where: short stacking energy: -684.180 Base-Backbone interact. energy: -0.147 local terms energy: -727.127152 where: bonds (distance) C4'-P energy: -139.357 bonds (distance) P-C4' energy: -152.772 flat angles C4'-P-C4' energy: -158.443 flat angles P-C4'-P energy: -108.558 tors. eta vs tors. theta energy: -167.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2155.461675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.461675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.461675 (E_RNA) where: Base-Base interactions energy: -1456.351 where: short stacking energy: -650.379 Base-Backbone interact. energy: 4.728 local terms energy: -703.839441 where: bonds (distance) C4'-P energy: -142.094 bonds (distance) P-C4' energy: -131.168 flat angles C4'-P-C4' energy: -159.307 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -182.332 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: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -2033.379277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.379277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.379277 (E_RNA) where: Base-Base interactions energy: -1435.241 where: short stacking energy: -576.343 Base-Backbone interact. energy: -0.455 local terms energy: -597.683022 where: bonds (distance) C4'-P energy: -147.711 bonds (distance) P-C4' energy: -128.406 flat angles C4'-P-C4' energy: -132.261 flat angles P-C4'-P energy: -66.540 tors. eta vs tors. theta energy: -122.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1745.679250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.679250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.679250 (E_RNA) where: Base-Base interactions energy: -1191.342 where: short stacking energy: -514.032 Base-Backbone interact. energy: 0.858 local terms energy: -555.194543 where: bonds (distance) C4'-P energy: -108.025 bonds (distance) P-C4' energy: -128.109 flat angles C4'-P-C4' energy: -136.479 flat angles P-C4'-P energy: -87.231 tors. eta vs tors. theta energy: -95.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1168.826671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.826671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.826671 (E_RNA) where: Base-Base interactions energy: -688.206 where: short stacking energy: -370.893 Base-Backbone interact. energy: -2.116 local terms energy: -478.504562 where: bonds (distance) C4'-P energy: -120.467 bonds (distance) P-C4' energy: -125.899 flat angles C4'-P-C4' energy: -124.404 flat angles P-C4'-P energy: -68.025 tors. eta vs tors. theta energy: -39.710 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: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2945.137148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.137148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.137148 (E_RNA) where: Base-Base interactions energy: -2058.314 where: short stacking energy: -877.935 Base-Backbone interact. energy: -5.994 local terms energy: -880.829175 where: bonds (distance) C4'-P energy: -163.657 bonds (distance) P-C4' energy: -155.197 flat angles C4'-P-C4' energy: -190.252 flat angles P-C4'-P energy: -121.745 tors. eta vs tors. theta energy: -249.978 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: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2827.240707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.240707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.240707 (E_RNA) where: Base-Base interactions energy: -2002.782 where: short stacking energy: -867.394 Base-Backbone interact. energy: -3.648 local terms energy: -820.810509 where: bonds (distance) C4'-P energy: -132.216 bonds (distance) P-C4' energy: -154.705 flat angles C4'-P-C4' energy: -183.246 flat angles P-C4'-P energy: -119.128 tors. eta vs tors. theta energy: -231.515 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: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2762.085737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.085737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.085737 (E_RNA) where: Base-Base interactions energy: -1957.704 where: short stacking energy: -796.530 Base-Backbone interact. energy: -2.024 local terms energy: -802.358579 where: bonds (distance) C4'-P energy: -151.879 bonds (distance) P-C4' energy: -159.293 flat angles C4'-P-C4' energy: -169.645 flat angles P-C4'-P energy: -111.434 tors. eta vs tors. theta energy: -210.108 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: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2646.890650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.890650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.890650 (E_RNA) where: Base-Base interactions energy: -1877.110 where: short stacking energy: -790.695 Base-Backbone interact. energy: -1.456 local terms energy: -768.324723 where: bonds (distance) C4'-P energy: -151.148 bonds (distance) P-C4' energy: -117.898 flat angles C4'-P-C4' energy: -166.628 flat angles P-C4'-P energy: -114.785 tors. eta vs tors. theta energy: -217.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2590.489481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.489481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.489481 (E_RNA) where: Base-Base interactions energy: -1835.922 where: short stacking energy: -755.702 Base-Backbone interact. energy: -4.216 local terms energy: -750.350874 where: bonds (distance) C4'-P energy: -150.182 bonds (distance) P-C4' energy: -135.450 flat angles C4'-P-C4' energy: -170.245 flat angles P-C4'-P energy: -96.951 tors. eta vs tors. theta energy: -197.522 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: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2427.254169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.254169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.254169 (E_RNA) where: Base-Base interactions energy: -1719.346 where: short stacking energy: -736.217 Base-Backbone interact. energy: 2.505 local terms energy: -710.413300 where: bonds (distance) C4'-P energy: -133.210 bonds (distance) P-C4' energy: -145.925 flat angles C4'-P-C4' energy: -157.729 flat angles P-C4'-P energy: -82.585 tors. eta vs tors. theta energy: -190.964 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: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2174.518499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.518499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.518499 (E_RNA) where: Base-Base interactions energy: -1505.743 where: short stacking energy: -664.093 Base-Backbone interact. energy: -2.758 local terms energy: -666.016997 where: bonds (distance) C4'-P energy: -126.449 bonds (distance) P-C4' energy: -134.613 flat angles C4'-P-C4' energy: -158.775 flat angles P-C4'-P energy: -86.282 tors. eta vs tors. theta energy: -159.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -2032.912909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.912909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.912909 (E_RNA) where: Base-Base interactions energy: -1410.841 where: short stacking energy: -614.354 Base-Backbone interact. energy: -2.718 local terms energy: -619.353495 where: bonds (distance) C4'-P energy: -130.788 bonds (distance) P-C4' energy: -150.863 flat angles C4'-P-C4' energy: -133.429 flat angles P-C4'-P energy: -61.214 tors. eta vs tors. theta energy: -143.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1810.962586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.962586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.962586 (E_RNA) where: Base-Base interactions energy: -1199.087 where: short stacking energy: -550.452 Base-Backbone interact. energy: -1.452 local terms energy: -610.423761 where: bonds (distance) C4'-P energy: -118.811 bonds (distance) P-C4' energy: -133.964 flat angles C4'-P-C4' energy: -144.445 flat angles P-C4'-P energy: -101.181 tors. eta vs tors. theta energy: -112.022 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: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1219.275231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.275231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.275231 (E_RNA) where: Base-Base interactions energy: -756.061 where: short stacking energy: -408.749 Base-Backbone interact. energy: 9.134 local terms energy: -472.348895 where: bonds (distance) C4'-P energy: -126.698 bonds (distance) P-C4' energy: -115.499 flat angles C4'-P-C4' energy: -108.462 flat angles P-C4'-P energy: -72.853 tors. eta vs tors. theta energy: -48.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2951.462423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.462423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.462423 (E_RNA) where: Base-Base interactions energy: -2079.487 where: short stacking energy: -904.484 Base-Backbone interact. energy: -4.365 local terms energy: -867.610684 where: bonds (distance) C4'-P energy: -157.063 bonds (distance) P-C4' energy: -158.310 flat angles C4'-P-C4' energy: -177.571 flat angles P-C4'-P energy: -129.783 tors. eta vs tors. theta energy: -244.884 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: 2, replica: 1 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2835.409673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.409673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.409673 (E_RNA) where: Base-Base interactions energy: -1990.456 where: short stacking energy: -864.004 Base-Backbone interact. energy: -1.087 local terms energy: -843.866517 where: bonds (distance) C4'-P energy: -163.665 bonds (distance) P-C4' energy: -165.809 flat angles C4'-P-C4' energy: -175.959 flat angles P-C4'-P energy: -109.077 tors. eta vs tors. theta energy: -229.357 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: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2784.717522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.717522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.717522 (E_RNA) where: Base-Base interactions energy: -1973.532 where: short stacking energy: -812.910 Base-Backbone interact. energy: -5.962 local terms energy: -805.224041 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -171.916 flat angles C4'-P-C4' energy: -180.414 flat angles P-C4'-P energy: -107.891 tors. eta vs tors. theta energy: -202.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2681.660351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.660351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.660351 (E_RNA) where: Base-Base interactions energy: -1924.266 where: short stacking energy: -809.138 Base-Backbone interact. energy: -0.393 local terms energy: -757.002140 where: bonds (distance) C4'-P energy: -145.399 bonds (distance) P-C4' energy: -119.100 flat angles C4'-P-C4' energy: -163.799 flat angles P-C4'-P energy: -122.134 tors. eta vs tors. theta energy: -206.570 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: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2577.824255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.824255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.824255 (E_RNA) where: Base-Base interactions energy: -1853.776 where: short stacking energy: -760.395 Base-Backbone interact. energy: -1.749 local terms energy: -722.298714 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -146.250 flat angles C4'-P-C4' energy: -159.695 flat angles P-C4'-P energy: -83.784 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: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2446.017839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.017839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.017839 (E_RNA) where: Base-Base interactions energy: -1730.661 where: short stacking energy: -743.833 Base-Backbone interact. energy: -1.062 local terms energy: -714.295469 where: bonds (distance) C4'-P energy: -121.391 bonds (distance) P-C4' energy: -144.680 flat angles C4'-P-C4' energy: -156.671 flat angles P-C4'-P energy: -95.873 tors. eta vs tors. theta energy: -195.680 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: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2181.610381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.610381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.610381 (E_RNA) where: Base-Base interactions energy: -1531.261 where: short stacking energy: -684.873 Base-Backbone interact. energy: -2.214 local terms energy: -648.134929 where: bonds (distance) C4'-P energy: -113.862 bonds (distance) P-C4' energy: -120.116 flat angles C4'-P-C4' energy: -148.448 flat angles P-C4'-P energy: -96.392 tors. eta vs tors. theta energy: -169.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1979.977843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.977843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.977843 (E_RNA) where: Base-Base interactions energy: -1331.905 where: short stacking energy: -575.211 Base-Backbone interact. energy: -2.630 local terms energy: -645.442447 where: bonds (distance) C4'-P energy: -126.886 bonds (distance) P-C4' energy: -140.486 flat angles C4'-P-C4' energy: -139.218 flat angles P-C4'-P energy: -94.754 tors. eta vs tors. theta energy: -144.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1774.685143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.685143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.685143 (E_RNA) where: Base-Base interactions energy: -1202.358 where: short stacking energy: -523.418 Base-Backbone interact. energy: -4.058 local terms energy: -568.269912 where: bonds (distance) C4'-P energy: -108.033 bonds (distance) P-C4' energy: -132.723 flat angles C4'-P-C4' energy: -117.038 flat angles P-C4'-P energy: -101.518 tors. eta vs tors. theta energy: -108.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1179.855624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.855624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.855624 (E_RNA) where: Base-Base interactions energy: -729.159 where: short stacking energy: -324.019 Base-Backbone interact. energy: -0.023 local terms energy: -450.674258 where: bonds (distance) C4'-P energy: -127.146 bonds (distance) P-C4' energy: -121.909 flat angles C4'-P-C4' energy: -105.352 flat angles P-C4'-P energy: -72.106 tors. eta vs tors. theta energy: -24.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2950.408342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.408342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.408342 (E_RNA) where: Base-Base interactions energy: -2105.183 where: short stacking energy: -894.024 Base-Backbone interact. energy: -3.621 local terms energy: -841.604571 where: bonds (distance) C4'-P energy: -148.077 bonds (distance) P-C4' energy: -152.486 flat angles C4'-P-C4' energy: -181.616 flat angles P-C4'-P energy: -117.154 tors. eta vs tors. theta energy: -242.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2877.495487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.495487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.495487 (E_RNA) where: Base-Base interactions energy: -2035.102 where: short stacking energy: -856.247 Base-Backbone interact. energy: -3.502 local terms energy: -838.891161 where: bonds (distance) C4'-P energy: -160.280 bonds (distance) P-C4' energy: -163.920 flat angles C4'-P-C4' energy: -176.953 flat angles P-C4'-P energy: -108.782 tors. eta vs tors. theta energy: -228.956 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: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2739.518513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.518513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.518513 (E_RNA) where: Base-Base interactions energy: -1985.145 where: short stacking energy: -810.939 Base-Backbone interact. energy: -0.119 local terms energy: -754.254925 where: bonds (distance) C4'-P energy: -142.831 bonds (distance) P-C4' energy: -129.892 flat angles C4'-P-C4' energy: -174.457 flat angles P-C4'-P energy: -105.854 tors. eta vs tors. theta energy: -201.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2703.692365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.692365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.692365 (E_RNA) where: Base-Base interactions energy: -1893.891 where: short stacking energy: -802.608 Base-Backbone interact. energy: -1.765 local terms energy: -808.035956 where: bonds (distance) C4'-P energy: -157.622 bonds (distance) P-C4' energy: -132.719 flat angles C4'-P-C4' energy: -177.147 flat angles P-C4'-P energy: -122.537 tors. eta vs tors. theta energy: -218.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2544.559290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.559290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.559290 (E_RNA) where: Base-Base interactions energy: -1799.597 where: short stacking energy: -767.667 Base-Backbone interact. energy: -1.416 local terms energy: -743.546089 where: bonds (distance) C4'-P energy: -121.191 bonds (distance) P-C4' energy: -142.428 flat angles C4'-P-C4' energy: -163.229 flat angles P-C4'-P energy: -118.329 tors. eta vs tors. theta energy: -198.369 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: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2478.064408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.064408 (E_RNA) where: Base-Base interactions energy: -1757.527 where: short stacking energy: -715.166 Base-Backbone interact. energy: -2.659 local terms energy: -717.877978 where: bonds (distance) C4'-P energy: -153.066 bonds (distance) P-C4' energy: -148.842 flat angles C4'-P-C4' energy: -141.738 flat angles P-C4'-P energy: -88.611 tors. eta vs tors. theta energy: -185.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2248.047943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.047943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.047943 (E_RNA) where: Base-Base interactions energy: -1544.976 where: short stacking energy: -693.857 Base-Backbone interact. energy: -1.767 local terms energy: -701.304931 where: bonds (distance) C4'-P energy: -136.303 bonds (distance) P-C4' energy: -132.251 flat angles C4'-P-C4' energy: -149.713 flat angles P-C4'-P energy: -100.869 tors. eta vs tors. theta energy: -182.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1998.692198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.692198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.692198 (E_RNA) where: Base-Base interactions energy: -1382.521 where: short stacking energy: -587.308 Base-Backbone interact. energy: -3.024 local terms energy: -613.147122 where: bonds (distance) C4'-P energy: -130.025 bonds (distance) P-C4' energy: -119.274 flat angles C4'-P-C4' energy: -149.757 flat angles P-C4'-P energy: -80.677 tors. eta vs tors. theta energy: -133.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1717.884315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.884315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.884315 (E_RNA) where: Base-Base interactions energy: -1110.543 where: short stacking energy: -521.586 Base-Backbone interact. energy: -3.017 local terms energy: -604.324825 where: bonds (distance) C4'-P energy: -118.686 bonds (distance) P-C4' energy: -145.869 flat angles C4'-P-C4' energy: -135.782 flat angles P-C4'-P energy: -90.583 tors. eta vs tors. theta energy: -113.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1149.609903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.609903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.609903 (E_RNA) where: Base-Base interactions energy: -680.721 where: short stacking energy: -316.001 Base-Backbone interact. energy: 3.380 local terms energy: -472.268819 where: bonds (distance) C4'-P energy: -109.499 bonds (distance) P-C4' energy: -130.559 flat angles C4'-P-C4' energy: -142.670 flat angles P-C4'-P energy: -63.494 tors. eta vs tors. theta energy: -26.047 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: 1, replica: 5 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2940.145020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.145020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.145020 (E_RNA) where: Base-Base interactions energy: -2068.193 where: short stacking energy: -892.194 Base-Backbone interact. energy: -5.582 local terms energy: -866.369606 where: bonds (distance) C4'-P energy: -151.465 bonds (distance) P-C4' energy: -164.009 flat angles C4'-P-C4' energy: -193.027 flat angles P-C4'-P energy: -112.466 tors. eta vs tors. theta energy: -245.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2833.114919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.114919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.114919 (E_RNA) where: Base-Base interactions energy: -1996.375 where: short stacking energy: -859.594 Base-Backbone interact. energy: -1.374 local terms energy: -835.365849 where: bonds (distance) C4'-P energy: -157.195 bonds (distance) P-C4' energy: -150.816 flat angles C4'-P-C4' energy: -178.867 flat angles P-C4'-P energy: -121.932 tors. eta vs tors. theta energy: -226.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2794.973364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.973364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.973364 (E_RNA) where: Base-Base interactions energy: -2013.717 where: short stacking energy: -802.110 Base-Backbone interact. energy: 3.990 local terms energy: -785.246597 where: bonds (distance) C4'-P energy: -147.406 bonds (distance) P-C4' energy: -144.522 flat angles C4'-P-C4' energy: -170.071 flat angles P-C4'-P energy: -121.301 tors. eta vs tors. theta energy: -201.947 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: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2697.702653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.702653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.702653 (E_RNA) where: Base-Base interactions energy: -1898.894 where: short stacking energy: -815.916 Base-Backbone interact. energy: -3.204 local terms energy: -795.604811 where: bonds (distance) C4'-P energy: -134.698 bonds (distance) P-C4' energy: -160.441 flat angles C4'-P-C4' energy: -177.127 flat angles P-C4'-P energy: -102.322 tors. eta vs tors. theta energy: -221.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2567.032251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.032251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.032251 (E_RNA) where: Base-Base interactions energy: -1812.901 where: short stacking energy: -758.774 Base-Backbone interact. energy: -0.038 local terms energy: -754.093345 where: bonds (distance) C4'-P energy: -134.907 bonds (distance) P-C4' energy: -139.092 flat angles C4'-P-C4' energy: -168.227 flat angles P-C4'-P energy: -107.193 tors. eta vs tors. theta energy: -204.674 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: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2508.110818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.110818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.110818 (E_RNA) where: Base-Base interactions energy: -1771.670 where: short stacking energy: -738.007 Base-Backbone interact. energy: -1.191 local terms energy: -735.250497 where: bonds (distance) C4'-P energy: -125.411 bonds (distance) P-C4' energy: -137.837 flat angles C4'-P-C4' energy: -181.830 flat angles P-C4'-P energy: -102.635 tors. eta vs tors. theta energy: -187.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2218.427795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.427795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.427795 (E_RNA) where: Base-Base interactions energy: -1522.913 where: short stacking energy: -690.553 Base-Backbone interact. energy: -0.484 local terms energy: -695.030317 where: bonds (distance) C4'-P energy: -119.258 bonds (distance) P-C4' energy: -135.568 flat angles C4'-P-C4' energy: -151.220 flat angles P-C4'-P energy: -107.394 tors. eta vs tors. theta energy: -181.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1958.223231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.223231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.223231 (E_RNA) where: Base-Base interactions energy: -1332.541 where: short stacking energy: -582.924 Base-Backbone interact. energy: -1.687 local terms energy: -623.995330 where: bonds (distance) C4'-P energy: -122.056 bonds (distance) P-C4' energy: -140.535 flat angles C4'-P-C4' energy: -131.431 flat angles P-C4'-P energy: -100.555 tors. eta vs tors. theta energy: -129.419 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: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1731.537967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.537967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.537967 (E_RNA) where: Base-Base interactions energy: -1143.538 where: short stacking energy: -492.282 Base-Backbone interact. energy: 3.179 local terms energy: -591.178913 where: bonds (distance) C4'-P energy: -147.884 bonds (distance) P-C4' energy: -136.621 flat angles C4'-P-C4' energy: -124.809 flat angles P-C4'-P energy: -83.092 tors. eta vs tors. theta energy: -98.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1133.327325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.327325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.327325 (E_RNA) where: Base-Base interactions energy: -658.846 where: short stacking energy: -354.554 Base-Backbone interact. energy: -2.370 local terms energy: -472.110795 where: bonds (distance) C4'-P energy: -112.439 bonds (distance) P-C4' energy: -128.271 flat angles C4'-P-C4' energy: -119.256 flat angles P-C4'-P energy: -70.375 tors. eta vs tors. theta energy: -41.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2977.885863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.885863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.885863 (E_RNA) where: Base-Base interactions energy: -2099.145 where: short stacking energy: -910.298 Base-Backbone interact. energy: -4.402 local terms energy: -874.338938 where: bonds (distance) C4'-P energy: -169.385 bonds (distance) P-C4' energy: -162.379 flat angles C4'-P-C4' energy: -172.817 flat angles P-C4'-P energy: -123.062 tors. eta vs tors. theta energy: -246.696 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: 2, replica: 1 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2860.991702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.991702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.991702 (E_RNA) where: Base-Base interactions energy: -2036.624 where: short stacking energy: -862.970 Base-Backbone interact. energy: -2.794 local terms energy: -821.574149 where: bonds (distance) C4'-P energy: -151.856 bonds (distance) P-C4' energy: -157.673 flat angles C4'-P-C4' energy: -188.771 flat angles P-C4'-P energy: -101.396 tors. eta vs tors. theta energy: -221.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2792.556110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.556110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.556110 (E_RNA) where: Base-Base interactions energy: -1993.448 where: short stacking energy: -825.310 Base-Backbone interact. energy: 0.671 local terms energy: -799.779745 where: bonds (distance) C4'-P energy: -146.296 bonds (distance) P-C4' energy: -153.217 flat angles C4'-P-C4' energy: -174.104 flat angles P-C4'-P energy: -119.393 tors. eta vs tors. theta energy: -206.770 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: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2702.896871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.896871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.896871 (E_RNA) where: Base-Base interactions energy: -1867.552 where: short stacking energy: -835.243 Base-Backbone interact. energy: -1.962 local terms energy: -833.382531 where: bonds (distance) C4'-P energy: -140.899 bonds (distance) P-C4' energy: -153.358 flat angles C4'-P-C4' energy: -179.115 flat angles P-C4'-P energy: -122.363 tors. eta vs tors. theta energy: -237.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2581.958866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.958866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.958866 (E_RNA) where: Base-Base interactions energy: -1874.318 where: short stacking energy: -735.506 Base-Backbone interact. energy: -4.218 local terms energy: -703.423253 where: bonds (distance) C4'-P energy: -138.837 bonds (distance) P-C4' energy: -135.777 flat angles C4'-P-C4' energy: -149.442 flat angles P-C4'-P energy: -89.899 tors. eta vs tors. theta energy: -189.469 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: 6, replica: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2468.830532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.830532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.830532 (E_RNA) where: Base-Base interactions energy: -1759.508 where: short stacking energy: -725.666 Base-Backbone interact. energy: 3.157 local terms energy: -712.479521 where: bonds (distance) C4'-P energy: -131.697 bonds (distance) P-C4' energy: -130.257 flat angles C4'-P-C4' energy: -154.901 flat angles P-C4'-P energy: -101.775 tors. eta vs tors. theta energy: -193.849 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: 7, replica: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2116.999320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.999320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.999320 (E_RNA) where: Base-Base interactions energy: -1462.866 where: short stacking energy: -649.895 Base-Backbone interact. energy: 1.444 local terms energy: -655.577757 where: bonds (distance) C4'-P energy: -102.325 bonds (distance) P-C4' energy: -136.341 flat angles C4'-P-C4' energy: -153.524 flat angles P-C4'-P energy: -91.648 tors. eta vs tors. theta energy: -171.740 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: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1931.799036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.799036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.799036 (E_RNA) where: Base-Base interactions energy: -1327.513 where: short stacking energy: -582.225 Base-Backbone interact. energy: -4.673 local terms energy: -599.613665 where: bonds (distance) C4'-P energy: -126.314 bonds (distance) P-C4' energy: -127.156 flat angles C4'-P-C4' energy: -139.934 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -119.037 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: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1745.564287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.564287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.564287 (E_RNA) where: Base-Base interactions energy: -1173.955 where: short stacking energy: -550.835 Base-Backbone interact. energy: -0.693 local terms energy: -570.916047 where: bonds (distance) C4'-P energy: -120.012 bonds (distance) P-C4' energy: -120.824 flat angles C4'-P-C4' energy: -136.959 flat angles P-C4'-P energy: -70.531 tors. eta vs tors. theta energy: -122.589 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: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1139.453459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.453459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.453459 (E_RNA) where: Base-Base interactions energy: -692.585 where: short stacking energy: -375.235 Base-Backbone interact. energy: -0.778 local terms energy: -446.090241 where: bonds (distance) C4'-P energy: -112.731 bonds (distance) P-C4' energy: -121.579 flat angles C4'-P-C4' energy: -110.582 flat angles P-C4'-P energy: -54.201 tors. eta vs tors. theta energy: -46.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3011.888332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.888332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.888332 (E_RNA) where: Base-Base interactions energy: -2119.863 where: short stacking energy: -892.135 Base-Backbone interact. energy: -8.141 local terms energy: -883.885128 where: bonds (distance) C4'-P energy: -155.694 bonds (distance) P-C4' energy: -176.943 flat angles C4'-P-C4' energy: -181.026 flat angles P-C4'-P energy: -119.234 tors. eta vs tors. theta energy: -250.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2841.990375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.990375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.990375 (E_RNA) where: Base-Base interactions energy: -1989.169 where: short stacking energy: -857.301 Base-Backbone interact. energy: -5.165 local terms energy: -847.656428 where: bonds (distance) C4'-P energy: -148.212 bonds (distance) P-C4' energy: -148.342 flat angles C4'-P-C4' energy: -192.545 flat angles P-C4'-P energy: -127.285 tors. eta vs tors. theta energy: -231.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2794.120076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.120076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.120076 (E_RNA) where: Base-Base interactions energy: -2004.584 where: short stacking energy: -823.159 Base-Backbone interact. energy: -3.528 local terms energy: -786.007899 where: bonds (distance) C4'-P energy: -122.073 bonds (distance) P-C4' energy: -156.539 flat angles C4'-P-C4' energy: -181.820 flat angles P-C4'-P energy: -110.743 tors. eta vs tors. theta energy: -214.834 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: 3 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2674.660305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.660305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.660305 (E_RNA) where: Base-Base interactions energy: -1868.473 where: short stacking energy: -817.864 Base-Backbone interact. energy: -4.916 local terms energy: -801.270903 where: bonds (distance) C4'-P energy: -153.731 bonds (distance) P-C4' energy: -141.125 flat angles C4'-P-C4' energy: -172.617 flat angles P-C4'-P energy: -115.992 tors. eta vs tors. theta energy: -217.805 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: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2530.784976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.784976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.784976 (E_RNA) where: Base-Base interactions energy: -1789.922 where: short stacking energy: -757.481 Base-Backbone interact. energy: 2.072 local terms energy: -742.934513 where: bonds (distance) C4'-P energy: -132.712 bonds (distance) P-C4' energy: -136.491 flat angles C4'-P-C4' energy: -170.813 flat angles P-C4'-P energy: -109.003 tors. eta vs tors. theta energy: -193.916 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: 10 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2451.620373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.620373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.620373 (E_RNA) where: Base-Base interactions energy: -1708.715 where: short stacking energy: -733.099 Base-Backbone interact. energy: -5.496 local terms energy: -737.409354 where: bonds (distance) C4'-P energy: -136.655 bonds (distance) P-C4' energy: -139.682 flat angles C4'-P-C4' energy: -158.039 flat angles P-C4'-P energy: -103.988 tors. eta vs tors. theta energy: -199.045 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: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2164.082836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.082836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.082836 (E_RNA) where: Base-Base interactions energy: -1461.764 where: short stacking energy: -646.889 Base-Backbone interact. energy: -2.716 local terms energy: -699.603248 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -138.687 flat angles C4'-P-C4' energy: -150.772 flat angles P-C4'-P energy: -96.762 tors. eta vs tors. theta energy: -175.868 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: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1932.965408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.965408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.965408 (E_RNA) where: Base-Base interactions energy: -1344.176 where: short stacking energy: -606.790 Base-Backbone interact. energy: 4.503 local terms energy: -593.292511 where: bonds (distance) C4'-P energy: -137.033 bonds (distance) P-C4' energy: -124.142 flat angles C4'-P-C4' energy: -130.422 flat angles P-C4'-P energy: -68.039 tors. eta vs tors. theta energy: -133.657 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: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1830.223452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.223452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.223452 (E_RNA) where: Base-Base interactions energy: -1219.579 where: short stacking energy: -540.922 Base-Backbone interact. energy: -4.322 local terms energy: -606.322625 where: bonds (distance) C4'-P energy: -126.318 bonds (distance) P-C4' energy: -124.014 flat angles C4'-P-C4' energy: -130.887 flat angles P-C4'-P energy: -95.603 tors. eta vs tors. theta energy: -129.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1147.043487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.043487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.043487 (E_RNA) where: Base-Base interactions energy: -680.258 where: short stacking energy: -337.554 Base-Backbone interact. energy: 2.006 local terms energy: -468.791142 where: bonds (distance) C4'-P energy: -115.934 bonds (distance) P-C4' energy: -133.445 flat angles C4'-P-C4' energy: -120.462 flat angles P-C4'-P energy: -63.901 tors. eta vs tors. theta energy: -35.048 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: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2979.516796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.516796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.516796 (E_RNA) where: Base-Base interactions energy: -2127.833 where: short stacking energy: -889.546 Base-Backbone interact. energy: -2.179 local terms energy: -849.504854 where: bonds (distance) C4'-P energy: -152.544 bonds (distance) P-C4' energy: -159.120 flat angles C4'-P-C4' energy: -181.504 flat angles P-C4'-P energy: -115.147 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: 2, replica: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2851.699583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.699583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.699583 (E_RNA) where: Base-Base interactions energy: -2007.137 where: short stacking energy: -877.633 Base-Backbone interact. energy: -0.867 local terms energy: -843.696031 where: bonds (distance) C4'-P energy: -149.146 bonds (distance) P-C4' energy: -154.338 flat angles C4'-P-C4' energy: -172.783 flat angles P-C4'-P energy: -123.570 tors. eta vs tors. theta energy: -243.858 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: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2820.371914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.371914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.371914 (E_RNA) where: Base-Base interactions energy: -2029.399 where: short stacking energy: -828.325 Base-Backbone interact. energy: -1.759 local terms energy: -789.214526 where: bonds (distance) C4'-P energy: -136.949 bonds (distance) P-C4' energy: -150.800 flat angles C4'-P-C4' energy: -187.368 flat angles P-C4'-P energy: -110.558 tors. eta vs tors. theta energy: -203.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2693.744831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.744831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.744831 (E_RNA) where: Base-Base interactions energy: -1882.218 where: short stacking energy: -836.862 Base-Backbone interact. energy: -1.564 local terms energy: -809.962683 where: bonds (distance) C4'-P energy: -138.946 bonds (distance) P-C4' energy: -168.064 flat angles C4'-P-C4' energy: -178.880 flat angles P-C4'-P energy: -94.481 tors. eta vs tors. theta energy: -229.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2569.503135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.503135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.503135 (E_RNA) where: Base-Base interactions energy: -1809.020 where: short stacking energy: -791.448 Base-Backbone interact. energy: -4.034 local terms energy: -756.449516 where: bonds (distance) C4'-P energy: -136.671 bonds (distance) P-C4' energy: -130.050 flat angles C4'-P-C4' energy: -171.438 flat angles P-C4'-P energy: -108.769 tors. eta vs tors. theta energy: -209.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2456.462463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.462463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.462463 (E_RNA) where: Base-Base interactions energy: -1717.352 where: short stacking energy: -730.734 Base-Backbone interact. energy: 1.325 local terms energy: -740.435232 where: bonds (distance) C4'-P energy: -148.704 bonds (distance) P-C4' energy: -126.868 flat angles C4'-P-C4' energy: -167.832 flat angles P-C4'-P energy: -114.925 tors. eta vs tors. theta energy: -182.106 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: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2209.127204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.127204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.127204 (E_RNA) where: Base-Base interactions energy: -1560.324 where: short stacking energy: -668.145 Base-Backbone interact. energy: -3.591 local terms energy: -645.212482 where: bonds (distance) C4'-P energy: -122.507 bonds (distance) P-C4' energy: -134.580 flat angles C4'-P-C4' energy: -142.957 flat angles P-C4'-P energy: -80.382 tors. eta vs tors. theta energy: -164.786 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: 8, replica: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1998.449715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.449715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.449715 (E_RNA) where: Base-Base interactions energy: -1362.048 where: short stacking energy: -603.758 Base-Backbone interact. energy: -4.606 local terms energy: -631.796247 where: bonds (distance) C4'-P energy: -112.901 bonds (distance) P-C4' energy: -115.630 flat angles C4'-P-C4' energy: -162.365 flat angles P-C4'-P energy: -106.586 tors. eta vs tors. theta energy: -134.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1842.952676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.952676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.952676 (E_RNA) where: Base-Base interactions energy: -1284.144 where: short stacking energy: -600.214 Base-Backbone interact. energy: -1.541 local terms energy: -557.267615 where: bonds (distance) C4'-P energy: -93.827 bonds (distance) P-C4' energy: -109.633 flat angles C4'-P-C4' energy: -127.563 flat angles P-C4'-P energy: -88.029 tors. eta vs tors. theta energy: -138.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1188.017872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.017872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.017872 (E_RNA) where: Base-Base interactions energy: -698.314 where: short stacking energy: -358.909 Base-Backbone interact. energy: 4.510 local terms energy: -494.213118 where: bonds (distance) C4'-P energy: -110.926 bonds (distance) P-C4' energy: -150.083 flat angles C4'-P-C4' energy: -125.011 flat angles P-C4'-P energy: -77.962 tors. eta vs tors. theta energy: -30.232 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: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2970.244245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.244245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.244245 (E_RNA) where: Base-Base interactions energy: -2111.054 where: short stacking energy: -899.322 Base-Backbone interact. energy: -3.380 local terms energy: -855.810567 where: bonds (distance) C4'-P energy: -136.779 bonds (distance) P-C4' energy: -167.145 flat angles C4'-P-C4' energy: -179.830 flat angles P-C4'-P energy: -126.821 tors. eta vs tors. theta energy: -245.235 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: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2829.948700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.948700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.948700 (E_RNA) where: Base-Base interactions energy: -1986.411 where: short stacking energy: -863.846 Base-Backbone interact. energy: -3.131 local terms energy: -840.406176 where: bonds (distance) C4'-P energy: -150.565 bonds (distance) P-C4' energy: -154.413 flat angles C4'-P-C4' energy: -181.296 flat angles P-C4'-P energy: -119.744 tors. eta vs tors. theta energy: -234.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2767.233456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.233456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.233456 (E_RNA) where: Base-Base interactions energy: -1992.827 where: short stacking energy: -795.840 Base-Backbone interact. energy: 0.982 local terms energy: -775.388062 where: bonds (distance) C4'-P energy: -140.577 bonds (distance) P-C4' energy: -155.449 flat angles C4'-P-C4' energy: -174.963 flat angles P-C4'-P energy: -107.557 tors. eta vs tors. theta energy: -196.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2679.063198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.063198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.063198 (E_RNA) where: Base-Base interactions energy: -1902.106 where: short stacking energy: -824.346 Base-Backbone interact. energy: -0.911 local terms energy: -776.045784 where: bonds (distance) C4'-P energy: -135.549 bonds (distance) P-C4' energy: -133.544 flat angles C4'-P-C4' energy: -175.187 flat angles P-C4'-P energy: -107.099 tors. eta vs tors. theta energy: -224.667 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: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2519.672970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.672970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.672970 (E_RNA) where: Base-Base interactions energy: -1798.908 where: short stacking energy: -771.685 Base-Backbone interact. energy: -1.483 local terms energy: -719.281739 where: bonds (distance) C4'-P energy: -112.011 bonds (distance) P-C4' energy: -131.516 flat angles C4'-P-C4' energy: -169.416 flat angles P-C4'-P energy: -106.122 tors. eta vs tors. theta energy: -200.216 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: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2460.023890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.023890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.023890 (E_RNA) where: Base-Base interactions energy: -1746.227 where: short stacking energy: -730.521 Base-Backbone interact. energy: -0.740 local terms energy: -713.056971 where: bonds (distance) C4'-P energy: -138.616 bonds (distance) P-C4' energy: -128.202 flat angles C4'-P-C4' energy: -155.832 flat angles P-C4'-P energy: -108.531 tors. eta vs tors. theta energy: -181.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2218.807065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.807065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.807065 (E_RNA) where: Base-Base interactions energy: -1549.787 where: short stacking energy: -664.502 Base-Backbone interact. energy: -2.111 local terms energy: -666.909082 where: bonds (distance) C4'-P energy: -117.938 bonds (distance) P-C4' energy: -147.996 flat angles C4'-P-C4' energy: -161.283 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: -154.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1956.253013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.253013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.253013 (E_RNA) where: Base-Base interactions energy: -1350.598 where: short stacking energy: -611.182 Base-Backbone interact. energy: -1.277 local terms energy: -604.378791 where: bonds (distance) C4'-P energy: -120.307 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -143.861 flat angles P-C4'-P energy: -81.414 tors. eta vs tors. theta energy: -131.278 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: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1849.401287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.401287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.401287 (E_RNA) where: Base-Base interactions energy: -1279.110 where: short stacking energy: -556.454 Base-Backbone interact. energy: 4.380 local terms energy: -574.671541 where: bonds (distance) C4'-P energy: -101.816 bonds (distance) P-C4' energy: -140.447 flat angles C4'-P-C4' energy: -144.791 flat angles P-C4'-P energy: -83.762 tors. eta vs tors. theta energy: -103.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1224.971699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.971699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.971699 (E_RNA) where: Base-Base interactions energy: -786.447 where: short stacking energy: -358.303 Base-Backbone interact. energy: -1.572 local terms energy: -436.952592 where: bonds (distance) C4'-P energy: -110.951 bonds (distance) P-C4' energy: -125.058 flat angles C4'-P-C4' energy: -100.994 flat angles P-C4'-P energy: -59.604 tors. eta vs tors. theta energy: -40.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2990.196521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.196521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.196521 (E_RNA) where: Base-Base interactions energy: -2116.956 where: short stacking energy: -902.073 Base-Backbone interact. energy: -7.826 local terms energy: -865.414523 where: bonds (distance) C4'-P energy: -170.438 bonds (distance) P-C4' energy: -153.768 flat angles C4'-P-C4' energy: -187.053 flat angles P-C4'-P energy: -113.558 tors. eta vs tors. theta energy: -240.597 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: 2, replica: 1 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2840.013392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.013392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.013392 (E_RNA) where: Base-Base interactions energy: -2006.444 where: short stacking energy: -900.477 Base-Backbone interact. energy: -0.750 local terms energy: -832.818705 where: bonds (distance) C4'-P energy: -134.773 bonds (distance) P-C4' energy: -149.904 flat angles C4'-P-C4' energy: -184.230 flat angles P-C4'-P energy: -130.734 tors. eta vs tors. theta energy: -233.178 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: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2770.284113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.284113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.284113 (E_RNA) where: Base-Base interactions energy: -1992.735 where: short stacking energy: -822.717 Base-Backbone interact. energy: 0.915 local terms energy: -778.464416 where: bonds (distance) C4'-P energy: -148.022 bonds (distance) P-C4' energy: -137.894 flat angles C4'-P-C4' energy: -169.283 flat angles P-C4'-P energy: -119.820 tors. eta vs tors. theta energy: -203.446 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: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2695.088571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.088571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.088571 (E_RNA) where: Base-Base interactions energy: -1913.002 where: short stacking energy: -819.875 Base-Backbone interact. energy: 0.562 local terms energy: -782.648820 where: bonds (distance) C4'-P energy: -144.064 bonds (distance) P-C4' energy: -145.102 flat angles C4'-P-C4' energy: -163.632 flat angles P-C4'-P energy: -107.677 tors. eta vs tors. theta energy: -222.173 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: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2549.954765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.954765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.954765 (E_RNA) where: Base-Base interactions energy: -1786.311 where: short stacking energy: -781.593 Base-Backbone interact. energy: -2.222 local terms energy: -761.421338 where: bonds (distance) C4'-P energy: -146.338 bonds (distance) P-C4' energy: -142.164 flat angles C4'-P-C4' energy: -159.758 flat angles P-C4'-P energy: -111.562 tors. eta vs tors. theta energy: -201.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2482.422741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.422741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.422741 (E_RNA) where: Base-Base interactions energy: -1755.605 where: short stacking energy: -760.404 Base-Backbone interact. energy: 1.415 local terms energy: -728.232663 where: bonds (distance) C4'-P energy: -124.914 bonds (distance) P-C4' energy: -121.372 flat angles C4'-P-C4' energy: -179.437 flat angles P-C4'-P energy: -107.384 tors. eta vs tors. theta energy: -195.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2295.037185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.037185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.037185 (E_RNA) where: Base-Base interactions energy: -1626.386 where: short stacking energy: -719.910 Base-Backbone interact. energy: -3.474 local terms energy: -665.177257 where: bonds (distance) C4'-P energy: -127.794 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -145.717 flat angles P-C4'-P energy: -83.357 tors. eta vs tors. theta energy: -179.238 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: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -2041.770843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.770843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.770843 (E_RNA) where: Base-Base interactions energy: -1406.303 where: short stacking energy: -612.444 Base-Backbone interact. energy: -0.036 local terms energy: -635.431616 where: bonds (distance) C4'-P energy: -129.929 bonds (distance) P-C4' energy: -132.563 flat angles C4'-P-C4' energy: -140.946 flat angles P-C4'-P energy: -86.416 tors. eta vs tors. theta energy: -145.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1812.721716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.721716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.721716 (E_RNA) where: Base-Base interactions energy: -1207.994 where: short stacking energy: -532.162 Base-Backbone interact. energy: 0.447 local terms energy: -605.174878 where: bonds (distance) C4'-P energy: -134.759 bonds (distance) P-C4' energy: -144.478 flat angles C4'-P-C4' energy: -142.260 flat angles P-C4'-P energy: -70.764 tors. eta vs tors. theta energy: -112.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1152.583186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.583186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.583186 (E_RNA) where: Base-Base interactions energy: -731.033 where: short stacking energy: -335.065 Base-Backbone interact. energy: 3.719 local terms energy: -425.269091 where: bonds (distance) C4'-P energy: -103.626 bonds (distance) P-C4' energy: -123.796 flat angles C4'-P-C4' energy: -110.438 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: -25.252 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: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2950.528886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.528886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.528886 (E_RNA) where: Base-Base interactions energy: -2097.754 where: short stacking energy: -892.252 Base-Backbone interact. energy: -7.100 local terms energy: -845.674435 where: bonds (distance) C4'-P energy: -153.038 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -193.434 flat angles P-C4'-P energy: -114.084 tors. eta vs tors. theta energy: -229.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2850.016636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.016636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.016636 (E_RNA) where: Base-Base interactions energy: -1998.888 where: short stacking energy: -855.795 Base-Backbone interact. energy: -3.010 local terms energy: -848.119553 where: bonds (distance) C4'-P energy: -154.717 bonds (distance) P-C4' energy: -165.471 flat angles C4'-P-C4' energy: -173.958 flat angles P-C4'-P energy: -119.846 tors. eta vs tors. theta energy: -234.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2786.671771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.671771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.671771 (E_RNA) where: Base-Base interactions energy: -2003.377 where: short stacking energy: -823.531 Base-Backbone interact. energy: -1.541 local terms energy: -781.753730 where: bonds (distance) C4'-P energy: -152.026 bonds (distance) P-C4' energy: -154.305 flat angles C4'-P-C4' energy: -167.554 flat angles P-C4'-P energy: -100.768 tors. eta vs tors. theta energy: -207.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2739.514478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.514478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.514478 (E_RNA) where: Base-Base interactions energy: -1925.697 where: short stacking energy: -861.476 Base-Backbone interact. energy: -7.392 local terms energy: -806.425901 where: bonds (distance) C4'-P energy: -151.521 bonds (distance) P-C4' energy: -160.808 flat angles C4'-P-C4' energy: -165.700 flat angles P-C4'-P energy: -107.247 tors. eta vs tors. theta energy: -221.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2520.299963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.299963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.299963 (E_RNA) where: Base-Base interactions energy: -1774.647 where: short stacking energy: -743.912 Base-Backbone interact. energy: -5.589 local terms energy: -740.064242 where: bonds (distance) C4'-P energy: -144.628 bonds (distance) P-C4' energy: -154.576 flat angles C4'-P-C4' energy: -150.487 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -195.276 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: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2480.862630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.862630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.862630 (E_RNA) where: Base-Base interactions energy: -1769.632 where: short stacking energy: -712.418 Base-Backbone interact. energy: -1.439 local terms energy: -709.791575 where: bonds (distance) C4'-P energy: -134.420 bonds (distance) P-C4' energy: -134.441 flat angles C4'-P-C4' energy: -152.234 flat angles P-C4'-P energy: -93.335 tors. eta vs tors. theta energy: -195.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2292.839222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.839222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.839222 (E_RNA) where: Base-Base interactions energy: -1578.699 where: short stacking energy: -698.351 Base-Backbone interact. energy: 0.696 local terms energy: -714.835797 where: bonds (distance) C4'-P energy: -148.670 bonds (distance) P-C4' energy: -127.233 flat angles C4'-P-C4' energy: -139.104 flat angles P-C4'-P energy: -104.330 tors. eta vs tors. theta energy: -195.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -2085.692556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.692556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.692556 (E_RNA) where: Base-Base interactions energy: -1458.170 where: short stacking energy: -621.687 Base-Backbone interact. energy: -5.037 local terms energy: -622.486509 where: bonds (distance) C4'-P energy: -115.331 bonds (distance) P-C4' energy: -136.801 flat angles C4'-P-C4' energy: -152.534 flat angles P-C4'-P energy: -67.337 tors. eta vs tors. theta energy: -150.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1867.742751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.742751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.742751 (E_RNA) where: Base-Base interactions energy: -1255.050 where: short stacking energy: -522.750 Base-Backbone interact. energy: 3.752 local terms energy: -616.445472 where: bonds (distance) C4'-P energy: -129.260 bonds (distance) P-C4' energy: -142.246 flat angles C4'-P-C4' energy: -148.472 flat angles P-C4'-P energy: -71.492 tors. eta vs tors. theta energy: -124.976 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: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1121.127562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.127562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.127562 (E_RNA) where: Base-Base interactions energy: -674.257 where: short stacking energy: -346.313 Base-Backbone interact. energy: 1.962 local terms energy: -448.832853 where: bonds (distance) C4'-P energy: -132.912 bonds (distance) P-C4' energy: -109.473 flat angles C4'-P-C4' energy: -111.114 flat angles P-C4'-P energy: -75.586 tors. eta vs tors. theta energy: -19.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2955.124151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.124151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.124151 (E_RNA) where: Base-Base interactions energy: -2096.834 where: short stacking energy: -881.779 Base-Backbone interact. energy: -3.930 local terms energy: -854.359658 where: bonds (distance) C4'-P energy: -154.907 bonds (distance) P-C4' energy: -155.488 flat angles C4'-P-C4' energy: -188.085 flat angles P-C4'-P energy: -117.968 tors. eta vs tors. theta energy: -237.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2838.864694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.864694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.864694 (E_RNA) where: Base-Base interactions energy: -1987.174 where: short stacking energy: -853.558 Base-Backbone interact. energy: -2.923 local terms energy: -848.768044 where: bonds (distance) C4'-P energy: -145.851 bonds (distance) P-C4' energy: -166.744 flat angles C4'-P-C4' energy: -187.677 flat angles P-C4'-P energy: -129.186 tors. eta vs tors. theta energy: -219.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2750.551019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.551019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.551019 (E_RNA) where: Base-Base interactions energy: -1974.649 where: short stacking energy: -817.861 Base-Backbone interact. energy: 4.837 local terms energy: -780.739389 where: bonds (distance) C4'-P energy: -158.533 bonds (distance) P-C4' energy: -137.907 flat angles C4'-P-C4' energy: -165.110 flat angles P-C4'-P energy: -114.588 tors. eta vs tors. theta energy: -204.601 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: 4, replica: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2763.766657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.766657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.766657 (E_RNA) where: Base-Base interactions energy: -1940.050 where: short stacking energy: -840.074 Base-Backbone interact. energy: -6.927 local terms energy: -816.790094 where: bonds (distance) C4'-P energy: -140.066 bonds (distance) P-C4' energy: -164.913 flat angles C4'-P-C4' energy: -170.986 flat angles P-C4'-P energy: -106.060 tors. eta vs tors. theta energy: -234.765 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: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2545.321858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.321858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.321858 (E_RNA) where: Base-Base interactions energy: -1780.807 where: short stacking energy: -761.751 Base-Backbone interact. energy: -3.625 local terms energy: -760.889096 where: bonds (distance) C4'-P energy: -144.322 bonds (distance) P-C4' energy: -149.225 flat angles C4'-P-C4' energy: -162.440 flat angles P-C4'-P energy: -104.157 tors. eta vs tors. theta energy: -200.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2489.574806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.574806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.574806 (E_RNA) where: Base-Base interactions energy: -1757.325 where: short stacking energy: -779.270 Base-Backbone interact. energy: -4.106 local terms energy: -728.143439 where: bonds (distance) C4'-P energy: -115.482 bonds (distance) P-C4' energy: -146.870 flat angles C4'-P-C4' energy: -165.719 flat angles P-C4'-P energy: -102.206 tors. eta vs tors. theta energy: -197.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2307.993295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.993295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.993295 (E_RNA) where: Base-Base interactions energy: -1636.793 where: short stacking energy: -678.438 Base-Backbone interact. energy: -0.111 local terms energy: -671.089161 where: bonds (distance) C4'-P energy: -126.791 bonds (distance) P-C4' energy: -118.956 flat angles C4'-P-C4' energy: -142.765 flat angles P-C4'-P energy: -96.624 tors. eta vs tors. theta energy: -185.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -2003.663937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.663937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.663937 (E_RNA) where: Base-Base interactions energy: -1381.925 where: short stacking energy: -566.149 Base-Backbone interact. energy: -0.375 local terms energy: -621.363432 where: bonds (distance) C4'-P energy: -129.923 bonds (distance) P-C4' energy: -136.318 flat angles C4'-P-C4' energy: -149.561 flat angles P-C4'-P energy: -80.426 tors. eta vs tors. theta energy: -125.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1843.979171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.979171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.979171 (E_RNA) where: Base-Base interactions energy: -1247.357 where: short stacking energy: -523.776 Base-Backbone interact. energy: 0.093 local terms energy: -596.714574 where: bonds (distance) C4'-P energy: -128.345 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -141.503 flat angles P-C4'-P energy: -80.453 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: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1121.943166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.943166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.943166 (E_RNA) where: Base-Base interactions energy: -661.460 where: short stacking energy: -304.874 Base-Backbone interact. energy: 3.236 local terms energy: -463.719322 where: bonds (distance) C4'-P energy: -131.641 bonds (distance) P-C4' energy: -130.259 flat angles C4'-P-C4' energy: -123.420 flat angles P-C4'-P energy: -62.012 tors. eta vs tors. theta energy: -16.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2979.420829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.420829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.420829 (E_RNA) where: Base-Base interactions energy: -2137.777 where: short stacking energy: -880.529 Base-Backbone interact. energy: -5.241 local terms energy: -836.403089 where: bonds (distance) C4'-P energy: -146.936 bonds (distance) P-C4' energy: -161.354 flat angles C4'-P-C4' energy: -179.578 flat angles P-C4'-P energy: -121.154 tors. eta vs tors. theta energy: -227.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2870.352340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.352340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.352340 (E_RNA) where: Base-Base interactions energy: -2032.529 where: short stacking energy: -883.019 Base-Backbone interact. energy: -3.034 local terms energy: -834.789057 where: bonds (distance) C4'-P energy: -151.025 bonds (distance) P-C4' energy: -148.802 flat angles C4'-P-C4' energy: -182.910 flat angles P-C4'-P energy: -120.301 tors. eta vs tors. theta energy: -231.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2786.157185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.157185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.157185 (E_RNA) where: Base-Base interactions energy: -1990.289 where: short stacking energy: -856.793 Base-Backbone interact. energy: -1.902 local terms energy: -793.966471 where: bonds (distance) C4'-P energy: -153.484 bonds (distance) P-C4' energy: -148.387 flat angles C4'-P-C4' energy: -174.276 flat angles P-C4'-P energy: -102.452 tors. eta vs tors. theta energy: -215.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2704.282078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.282078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.282078 (E_RNA) where: Base-Base interactions energy: -1885.400 where: short stacking energy: -804.795 Base-Backbone interact. energy: -4.419 local terms energy: -814.463302 where: bonds (distance) C4'-P energy: -150.471 bonds (distance) P-C4' energy: -149.958 flat angles C4'-P-C4' energy: -167.449 flat angles P-C4'-P energy: -112.591 tors. eta vs tors. theta energy: -233.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2535.641024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.641024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.641024 (E_RNA) where: Base-Base interactions energy: -1786.628 where: short stacking energy: -733.672 Base-Backbone interact. energy: -3.046 local terms energy: -745.966716 where: bonds (distance) C4'-P energy: -142.190 bonds (distance) P-C4' energy: -149.259 flat angles C4'-P-C4' energy: -159.777 flat angles P-C4'-P energy: -104.766 tors. eta vs tors. theta energy: -189.974 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: 7 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2421.099331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.099331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.099331 (E_RNA) where: Base-Base interactions energy: -1662.237 where: short stacking energy: -748.204 Base-Backbone interact. energy: 0.002 local terms energy: -758.863926 where: bonds (distance) C4'-P energy: -153.540 bonds (distance) P-C4' energy: -146.670 flat angles C4'-P-C4' energy: -157.172 flat angles P-C4'-P energy: -115.253 tors. eta vs tors. theta energy: -186.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2293.681055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.681055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.681055 (E_RNA) where: Base-Base interactions energy: -1608.409 where: short stacking energy: -660.105 Base-Backbone interact. energy: 0.146 local terms energy: -685.418544 where: bonds (distance) C4'-P energy: -115.303 bonds (distance) P-C4' energy: -156.300 flat angles C4'-P-C4' energy: -167.389 flat angles P-C4'-P energy: -91.843 tors. eta vs tors. theta energy: -154.582 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: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1986.789156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.789156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.789156 (E_RNA) where: Base-Base interactions energy: -1384.841 where: short stacking energy: -619.917 Base-Backbone interact. energy: 1.523 local terms energy: -603.471345 where: bonds (distance) C4'-P energy: -103.946 bonds (distance) P-C4' energy: -152.528 flat angles C4'-P-C4' energy: -147.363 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -124.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1768.758173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.758173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.758173 (E_RNA) where: Base-Base interactions energy: -1200.156 where: short stacking energy: -529.213 Base-Backbone interact. energy: 3.569 local terms energy: -572.171235 where: bonds (distance) C4'-P energy: -124.222 bonds (distance) P-C4' energy: -143.919 flat angles C4'-P-C4' energy: -131.927 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -111.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1176.346924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.346924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.346924 (E_RNA) where: Base-Base interactions energy: -710.604 where: short stacking energy: -343.267 Base-Backbone interact. energy: 6.049 local terms energy: -471.791459 where: bonds (distance) C4'-P energy: -110.088 bonds (distance) P-C4' energy: -126.744 flat angles C4'-P-C4' energy: -137.860 flat angles P-C4'-P energy: -72.647 tors. eta vs tors. theta energy: -24.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3010.461627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.461627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.461627 (E_RNA) where: Base-Base interactions energy: -2135.891 where: short stacking energy: -899.490 Base-Backbone interact. energy: -5.863 local terms energy: -868.707278 where: bonds (distance) C4'-P energy: -150.456 bonds (distance) P-C4' energy: -177.850 flat angles C4'-P-C4' energy: -180.853 flat angles P-C4'-P energy: -121.377 tors. eta vs tors. theta energy: -238.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2886.261040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.261040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.261040 (E_RNA) where: Base-Base interactions energy: -2065.970 where: short stacking energy: -873.200 Base-Backbone interact. energy: -4.626 local terms energy: -815.664816 where: bonds (distance) C4'-P energy: -153.260 bonds (distance) P-C4' energy: -149.164 flat angles C4'-P-C4' energy: -177.549 flat angles P-C4'-P energy: -105.760 tors. eta vs tors. theta energy: -229.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2802.796113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.796113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.796113 (E_RNA) where: Base-Base interactions energy: -2000.286 where: short stacking energy: -815.188 Base-Backbone interact. energy: -2.626 local terms energy: -799.884140 where: bonds (distance) C4'-P energy: -141.626 bonds (distance) P-C4' energy: -154.978 flat angles C4'-P-C4' energy: -173.846 flat angles P-C4'-P energy: -110.793 tors. eta vs tors. theta energy: -218.641 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: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2709.600242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.600242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.600242 (E_RNA) where: Base-Base interactions energy: -1922.717 where: short stacking energy: -794.863 Base-Backbone interact. energy: 2.850 local terms energy: -789.733111 where: bonds (distance) C4'-P energy: -140.554 bonds (distance) P-C4' energy: -130.529 flat angles C4'-P-C4' energy: -172.744 flat angles P-C4'-P energy: -128.247 tors. eta vs tors. theta energy: -217.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2568.973884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.973884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.973884 (E_RNA) where: Base-Base interactions energy: -1807.583 where: short stacking energy: -735.416 Base-Backbone interact. energy: -1.904 local terms energy: -759.487206 where: bonds (distance) C4'-P energy: -147.135 bonds (distance) P-C4' energy: -153.270 flat angles C4'-P-C4' energy: -155.541 flat angles P-C4'-P energy: -118.388 tors. eta vs tors. theta energy: -185.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2401.153972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.153972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.153972 (E_RNA) where: Base-Base interactions energy: -1630.595 where: short stacking energy: -751.424 Base-Backbone interact. energy: -2.763 local terms energy: -767.795633 where: bonds (distance) C4'-P energy: -139.195 bonds (distance) P-C4' energy: -155.242 flat angles C4'-P-C4' energy: -152.755 flat angles P-C4'-P energy: -117.399 tors. eta vs tors. theta energy: -203.204 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: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2241.461420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.461420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.461420 (E_RNA) where: Base-Base interactions energy: -1589.699 where: short stacking energy: -679.116 Base-Backbone interact. energy: 8.322 local terms energy: -660.084709 where: bonds (distance) C4'-P energy: -136.016 bonds (distance) P-C4' energy: -128.706 flat angles C4'-P-C4' energy: -143.655 flat angles P-C4'-P energy: -93.796 tors. eta vs tors. theta energy: -157.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1999.547235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.547235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.547235 (E_RNA) where: Base-Base interactions energy: -1356.509 where: short stacking energy: -594.023 Base-Backbone interact. energy: -2.299 local terms energy: -640.739820 where: bonds (distance) C4'-P energy: -126.705 bonds (distance) P-C4' energy: -131.251 flat angles C4'-P-C4' energy: -149.546 flat angles P-C4'-P energy: -97.577 tors. eta vs tors. theta energy: -135.661 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: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1752.285125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.285125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.285125 (E_RNA) where: Base-Base interactions energy: -1154.037 where: short stacking energy: -526.054 Base-Backbone interact. energy: -4.743 local terms energy: -593.505131 where: bonds (distance) C4'-P energy: -132.543 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -110.745 flat angles P-C4'-P energy: -92.967 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: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1290.048242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.048242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.048242 (E_RNA) where: Base-Base interactions energy: -784.361 where: short stacking energy: -388.527 Base-Backbone interact. energy: -1.355 local terms energy: -504.332512 where: bonds (distance) C4'-P energy: -113.280 bonds (distance) P-C4' energy: -127.286 flat angles C4'-P-C4' energy: -126.237 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -61.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3008.182714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.182714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.182714 (E_RNA) where: Base-Base interactions energy: -2115.667 where: short stacking energy: -902.054 Base-Backbone interact. energy: -4.249 local terms energy: -888.266699 where: bonds (distance) C4'-P energy: -170.638 bonds (distance) P-C4' energy: -167.439 flat angles C4'-P-C4' energy: -176.247 flat angles P-C4'-P energy: -134.937 tors. eta vs tors. theta energy: -239.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2894.737453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.737453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.737453 (E_RNA) where: Base-Base interactions energy: -2035.018 where: short stacking energy: -874.819 Base-Backbone interact. energy: -2.662 local terms energy: -857.057227 where: bonds (distance) C4'-P energy: -155.433 bonds (distance) P-C4' energy: -163.796 flat angles C4'-P-C4' energy: -179.500 flat angles P-C4'-P energy: -121.134 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: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2761.492512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.492512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.492512 (E_RNA) where: Base-Base interactions energy: -1993.996 where: short stacking energy: -855.101 Base-Backbone interact. energy: -5.538 local terms energy: -761.958793 where: bonds (distance) C4'-P energy: -139.150 bonds (distance) P-C4' energy: -130.383 flat angles C4'-P-C4' energy: -161.673 flat angles P-C4'-P energy: -116.790 tors. eta vs tors. theta energy: -213.963 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: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2688.525037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.525037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.525037 (E_RNA) where: Base-Base interactions energy: -1896.571 where: short stacking energy: -834.394 Base-Backbone interact. energy: -4.473 local terms energy: -787.481067 where: bonds (distance) C4'-P energy: -150.733 bonds (distance) P-C4' energy: -134.817 flat angles C4'-P-C4' energy: -178.163 flat angles P-C4'-P energy: -103.264 tors. eta vs tors. theta energy: -220.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2589.266707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.266707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.266707 (E_RNA) where: Base-Base interactions energy: -1825.939 where: short stacking energy: -773.336 Base-Backbone interact. energy: -0.056 local terms energy: -763.271303 where: bonds (distance) C4'-P energy: -138.186 bonds (distance) P-C4' energy: -151.359 flat angles C4'-P-C4' energy: -165.520 flat angles P-C4'-P energy: -107.575 tors. eta vs tors. theta energy: -200.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2402.389496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.389496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.389496 (E_RNA) where: Base-Base interactions energy: -1679.860 where: short stacking energy: -732.221 Base-Backbone interact. energy: 1.044 local terms energy: -723.573255 where: bonds (distance) C4'-P energy: -127.015 bonds (distance) P-C4' energy: -139.577 flat angles C4'-P-C4' energy: -155.060 flat angles P-C4'-P energy: -107.384 tors. eta vs tors. theta energy: -194.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2259.933265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.933265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.933265 (E_RNA) where: Base-Base interactions energy: -1602.599 where: short stacking energy: -662.963 Base-Backbone interact. energy: 1.530 local terms energy: -658.863872 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -130.542 flat angles C4'-P-C4' energy: -146.114 flat angles P-C4'-P energy: -105.828 tors. eta vs tors. theta energy: -159.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1962.308763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.308763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.308763 (E_RNA) where: Base-Base interactions energy: -1357.914 where: short stacking energy: -609.384 Base-Backbone interact. energy: 2.710 local terms energy: -607.104997 where: bonds (distance) C4'-P energy: -117.918 bonds (distance) P-C4' energy: -123.318 flat angles C4'-P-C4' energy: -146.826 flat angles P-C4'-P energy: -87.663 tors. eta vs tors. theta energy: -131.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1754.560367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.560367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.560367 (E_RNA) where: Base-Base interactions energy: -1184.776 where: short stacking energy: -515.678 Base-Backbone interact. energy: 1.883 local terms energy: -571.667174 where: bonds (distance) C4'-P energy: -121.522 bonds (distance) P-C4' energy: -139.023 flat angles C4'-P-C4' energy: -136.515 flat angles P-C4'-P energy: -68.433 tors. eta vs tors. theta energy: -106.174 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: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1357.026695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.026695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.026695 (E_RNA) where: Base-Base interactions energy: -881.590 where: short stacking energy: -397.072 Base-Backbone interact. energy: 3.191 local terms energy: -478.628088 where: bonds (distance) C4'-P energy: -104.860 bonds (distance) P-C4' energy: -120.264 flat angles C4'-P-C4' energy: -127.227 flat angles P-C4'-P energy: -78.529 tors. eta vs tors. theta energy: -47.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3011.330128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.330128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.330128 (E_RNA) where: Base-Base interactions energy: -2153.041 where: short stacking energy: -906.620 Base-Backbone interact. energy: -6.468 local terms energy: -851.820863 where: bonds (distance) C4'-P energy: -151.250 bonds (distance) P-C4' energy: -149.013 flat angles C4'-P-C4' energy: -187.834 flat angles P-C4'-P energy: -122.996 tors. eta vs tors. theta energy: -240.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2908.434252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.434252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.434252 (E_RNA) where: Base-Base interactions energy: -2047.306 where: short stacking energy: -878.792 Base-Backbone interact. energy: -1.547 local terms energy: -859.581477 where: bonds (distance) C4'-P energy: -156.526 bonds (distance) P-C4' energy: -162.779 flat angles C4'-P-C4' energy: -181.210 flat angles P-C4'-P energy: -122.942 tors. eta vs tors. theta energy: -236.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2752.544652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.544652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.544652 (E_RNA) where: Base-Base interactions energy: -1952.563 where: short stacking energy: -823.047 Base-Backbone interact. energy: -7.683 local terms energy: -792.298563 where: bonds (distance) C4'-P energy: -147.925 bonds (distance) P-C4' energy: -154.841 flat angles C4'-P-C4' energy: -168.677 flat angles P-C4'-P energy: -107.740 tors. eta vs tors. theta energy: -213.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2693.918719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.918719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.918719 (E_RNA) where: Base-Base interactions energy: -1907.913 where: short stacking energy: -810.993 Base-Backbone interact. energy: -3.943 local terms energy: -782.062623 where: bonds (distance) C4'-P energy: -142.989 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -168.877 flat angles P-C4'-P energy: -101.160 tors. eta vs tors. theta energy: -220.432 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: 244 Temperature: 1.100000 Total energy: -2593.441272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.441272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.441272 (E_RNA) where: Base-Base interactions energy: -1864.190 where: short stacking energy: -768.596 Base-Backbone interact. energy: -4.117 local terms energy: -725.134373 where: bonds (distance) C4'-P energy: -126.006 bonds (distance) P-C4' energy: -144.868 flat angles C4'-P-C4' energy: -153.476 flat angles P-C4'-P energy: -104.241 tors. eta vs tors. theta energy: -196.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2420.334961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.334961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.334961 (E_RNA) where: Base-Base interactions energy: -1699.209 where: short stacking energy: -759.556 Base-Backbone interact. energy: 1.093 local terms energy: -722.218577 where: bonds (distance) C4'-P energy: -127.145 bonds (distance) P-C4' energy: -149.181 flat angles C4'-P-C4' energy: -150.198 flat angles P-C4'-P energy: -96.621 tors. eta vs tors. theta energy: -199.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2251.028406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.028406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.028406 (E_RNA) where: Base-Base interactions energy: -1563.114 where: short stacking energy: -671.915 Base-Backbone interact. energy: -0.889 local terms energy: -687.025275 where: bonds (distance) C4'-P energy: -124.605 bonds (distance) P-C4' energy: -141.657 flat angles C4'-P-C4' energy: -157.339 flat angles P-C4'-P energy: -99.884 tors. eta vs tors. theta energy: -163.541 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: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -2052.523284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.523284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.523284 (E_RNA) where: Base-Base interactions energy: -1408.201 where: short stacking energy: -598.468 Base-Backbone interact. energy: -4.528 local terms energy: -639.794416 where: bonds (distance) C4'-P energy: -138.693 bonds (distance) P-C4' energy: -129.596 flat angles C4'-P-C4' energy: -134.192 flat angles P-C4'-P energy: -95.337 tors. eta vs tors. theta energy: -141.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1725.548910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.548910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.548910 (E_RNA) where: Base-Base interactions energy: -1167.462 where: short stacking energy: -483.471 Base-Backbone interact. energy: -0.846 local terms energy: -557.240889 where: bonds (distance) C4'-P energy: -135.471 bonds (distance) P-C4' energy: -124.583 flat angles C4'-P-C4' energy: -131.312 flat angles P-C4'-P energy: -74.925 tors. eta vs tors. theta energy: -90.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1395.992588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.992588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.992588 (E_RNA) where: Base-Base interactions energy: -902.208 where: short stacking energy: -396.986 Base-Backbone interact. energy: -1.493 local terms energy: -492.291354 where: bonds (distance) C4'-P energy: -100.547 bonds (distance) P-C4' energy: -119.014 flat angles C4'-P-C4' energy: -126.498 flat angles P-C4'-P energy: -81.168 tors. eta vs tors. theta energy: -65.063 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: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2995.708081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.708081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.708081 (E_RNA) where: Base-Base interactions energy: -2142.688 where: short stacking energy: -876.806 Base-Backbone interact. energy: -2.662 local terms energy: -850.358878 where: bonds (distance) C4'-P energy: -150.757 bonds (distance) P-C4' energy: -168.842 flat angles C4'-P-C4' energy: -177.197 flat angles P-C4'-P energy: -125.162 tors. eta vs tors. theta energy: -228.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2921.462142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.462142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.462142 (E_RNA) where: Base-Base interactions energy: -2077.749 where: short stacking energy: -897.983 Base-Backbone interact. energy: -3.838 local terms energy: -839.875269 where: bonds (distance) C4'-P energy: -154.416 bonds (distance) P-C4' energy: -165.362 flat angles C4'-P-C4' energy: -173.765 flat angles P-C4'-P energy: -116.289 tors. eta vs tors. theta energy: -230.044 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: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2785.781742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.781742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.781742 (E_RNA) where: Base-Base interactions energy: -2007.599 where: short stacking energy: -861.310 Base-Backbone interact. energy: -1.242 local terms energy: -776.940173 where: bonds (distance) C4'-P energy: -135.408 bonds (distance) P-C4' energy: -143.899 flat angles C4'-P-C4' energy: -157.524 flat angles P-C4'-P energy: -116.934 tors. eta vs tors. theta energy: -223.175 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: 4, replica: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2685.263124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.263124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.263124 (E_RNA) where: Base-Base interactions energy: -1909.036 where: short stacking energy: -798.143 Base-Backbone interact. energy: -3.400 local terms energy: -772.826510 where: bonds (distance) C4'-P energy: -160.301 bonds (distance) P-C4' energy: -141.431 flat angles C4'-P-C4' energy: -168.405 flat angles P-C4'-P energy: -102.208 tors. eta vs tors. theta energy: -200.481 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: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2654.314295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.314295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.314295 (E_RNA) where: Base-Base interactions energy: -1866.479 where: short stacking energy: -788.369 Base-Backbone interact. energy: -7.048 local terms energy: -780.787383 where: bonds (distance) C4'-P energy: -155.849 bonds (distance) P-C4' energy: -140.967 flat angles C4'-P-C4' energy: -164.463 flat angles P-C4'-P energy: -107.428 tors. eta vs tors. theta energy: -212.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2380.329179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.329179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.329179 (E_RNA) where: Base-Base interactions energy: -1667.313 where: short stacking energy: -733.586 Base-Backbone interact. energy: -3.435 local terms energy: -709.580970 where: bonds (distance) C4'-P energy: -122.604 bonds (distance) P-C4' energy: -143.544 flat angles C4'-P-C4' energy: -152.660 flat angles P-C4'-P energy: -91.577 tors. eta vs tors. theta energy: -199.196 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: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2214.318888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.318888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.318888 (E_RNA) where: Base-Base interactions energy: -1567.080 where: short stacking energy: -643.338 Base-Backbone interact. energy: -2.925 local terms energy: -644.314268 where: bonds (distance) C4'-P energy: -121.389 bonds (distance) P-C4' energy: -142.021 flat angles C4'-P-C4' energy: -147.115 flat angles P-C4'-P energy: -94.235 tors. eta vs tors. theta energy: -139.554 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: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1996.554219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.554219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.554219 (E_RNA) where: Base-Base interactions energy: -1389.366 where: short stacking energy: -589.402 Base-Backbone interact. energy: 4.377 local terms energy: -611.565425 where: bonds (distance) C4'-P energy: -118.318 bonds (distance) P-C4' energy: -135.606 flat angles C4'-P-C4' energy: -144.575 flat angles P-C4'-P energy: -85.319 tors. eta vs tors. theta energy: -127.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1723.893275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.893275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.893275 (E_RNA) where: Base-Base interactions energy: -1166.351 where: short stacking energy: -516.421 Base-Backbone interact. energy: 0.180 local terms energy: -557.722867 where: bonds (distance) C4'-P energy: -109.585 bonds (distance) P-C4' energy: -140.365 flat angles C4'-P-C4' energy: -133.801 flat angles P-C4'-P energy: -79.125 tors. eta vs tors. theta energy: -94.847 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: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1336.142490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.142490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.142490 (E_RNA) where: Base-Base interactions energy: -880.630 where: short stacking energy: -372.347 Base-Backbone interact. energy: 11.191 local terms energy: -466.703435 where: bonds (distance) C4'-P energy: -99.285 bonds (distance) P-C4' energy: -119.136 flat angles C4'-P-C4' energy: -136.896 flat angles P-C4'-P energy: -55.179 tors. eta vs tors. theta energy: -56.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3000.728522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.728522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.728522 (E_RNA) where: Base-Base interactions energy: -2147.618 where: short stacking energy: -893.990 Base-Backbone interact. energy: -4.880 local terms energy: -848.230548 where: bonds (distance) C4'-P energy: -133.647 bonds (distance) P-C4' energy: -173.128 flat angles C4'-P-C4' energy: -178.893 flat angles P-C4'-P energy: -115.776 tors. eta vs tors. theta energy: -246.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2865.192810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.192810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.192810 (E_RNA) where: Base-Base interactions energy: -2027.981 where: short stacking energy: -868.811 Base-Backbone interact. energy: -5.122 local terms energy: -832.089971 where: bonds (distance) C4'-P energy: -147.444 bonds (distance) P-C4' energy: -160.429 flat angles C4'-P-C4' energy: -180.756 flat angles P-C4'-P energy: -110.446 tors. eta vs tors. theta energy: -233.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2756.982997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.982997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.982997 (E_RNA) where: Base-Base interactions energy: -1953.313 where: short stacking energy: -813.997 Base-Backbone interact. energy: -2.895 local terms energy: -800.774718 where: bonds (distance) C4'-P energy: -150.817 bonds (distance) P-C4' energy: -155.600 flat angles C4'-P-C4' energy: -179.328 flat angles P-C4'-P energy: -115.327 tors. eta vs tors. theta energy: -199.703 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: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2634.558074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.558074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.558074 (E_RNA) where: Base-Base interactions energy: -1858.465 where: short stacking energy: -786.839 Base-Backbone interact. energy: -8.080 local terms energy: -768.012685 where: bonds (distance) C4'-P energy: -139.481 bonds (distance) P-C4' energy: -153.268 flat angles C4'-P-C4' energy: -165.857 flat angles P-C4'-P energy: -102.829 tors. eta vs tors. theta energy: -206.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2649.353385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.353385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.353385 (E_RNA) where: Base-Base interactions energy: -1876.457 where: short stacking energy: -825.574 Base-Backbone interact. energy: 2.772 local terms energy: -775.668363 where: bonds (distance) C4'-P energy: -137.822 bonds (distance) P-C4' energy: -143.890 flat angles C4'-P-C4' energy: -177.631 flat angles P-C4'-P energy: -95.908 tors. eta vs tors. theta energy: -220.418 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: 246 Temperature: 1.150000 Total energy: -2393.364718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.364718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.364718 (E_RNA) where: Base-Base interactions energy: -1669.595 where: short stacking energy: -725.610 Base-Backbone interact. energy: -3.339 local terms energy: -720.431011 where: bonds (distance) C4'-P energy: -144.772 bonds (distance) P-C4' energy: -134.645 flat angles C4'-P-C4' energy: -159.747 flat angles P-C4'-P energy: -92.987 tors. eta vs tors. theta energy: -188.281 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: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2229.411637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.411637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.411637 (E_RNA) where: Base-Base interactions energy: -1566.567 where: short stacking energy: -651.272 Base-Backbone interact. energy: 0.481 local terms energy: -663.326008 where: bonds (distance) C4'-P energy: -139.146 bonds (distance) P-C4' energy: -123.635 flat angles C4'-P-C4' energy: -153.184 flat angles P-C4'-P energy: -98.638 tors. eta vs tors. theta energy: -148.722 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: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -2018.751539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.751539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.751539 (E_RNA) where: Base-Base interactions energy: -1398.309 where: short stacking energy: -608.923 Base-Backbone interact. energy: 3.717 local terms energy: -624.159482 where: bonds (distance) C4'-P energy: -127.366 bonds (distance) P-C4' energy: -148.900 flat angles C4'-P-C4' energy: -126.487 flat angles P-C4'-P energy: -92.846 tors. eta vs tors. theta energy: -128.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1793.779495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.779495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.779495 (E_RNA) where: Base-Base interactions energy: -1188.158 where: short stacking energy: -519.599 Base-Backbone interact. energy: -4.161 local terms energy: -601.460459 where: bonds (distance) C4'-P energy: -134.385 bonds (distance) P-C4' energy: -135.759 flat angles C4'-P-C4' energy: -147.784 flat angles P-C4'-P energy: -96.254 tors. eta vs tors. theta energy: -87.278 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: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1386.556687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.556687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.556687 (E_RNA) where: Base-Base interactions energy: -874.632 where: short stacking energy: -380.432 Base-Backbone interact. energy: 7.929 local terms energy: -519.853568 where: bonds (distance) C4'-P energy: -137.147 bonds (distance) P-C4' energy: -114.570 flat angles C4'-P-C4' energy: -130.003 flat angles P-C4'-P energy: -77.022 tors. eta vs tors. theta energy: -61.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2998.565545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.565545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.565545 (E_RNA) where: Base-Base interactions energy: -2130.337 where: short stacking energy: -873.749 Base-Backbone interact. energy: -3.136 local terms energy: -865.092488 where: bonds (distance) C4'-P energy: -157.853 bonds (distance) P-C4' energy: -166.062 flat angles C4'-P-C4' energy: -191.723 flat angles P-C4'-P energy: -120.270 tors. eta vs tors. theta energy: -229.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2870.871212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.871212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.871212 (E_RNA) where: Base-Base interactions energy: -2025.844 where: short stacking energy: -842.557 Base-Backbone interact. energy: -0.443 local terms energy: -844.584097 where: bonds (distance) C4'-P energy: -162.886 bonds (distance) P-C4' energy: -150.296 flat angles C4'-P-C4' energy: -179.748 flat angles P-C4'-P energy: -125.286 tors. eta vs tors. theta energy: -226.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2737.338855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.338855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.338855 (E_RNA) where: Base-Base interactions energy: -1945.444 where: short stacking energy: -826.350 Base-Backbone interact. energy: -3.037 local terms energy: -788.857773 where: bonds (distance) C4'-P energy: -144.932 bonds (distance) P-C4' energy: -145.791 flat angles C4'-P-C4' energy: -167.416 flat angles P-C4'-P energy: -119.126 tors. eta vs tors. theta energy: -211.593 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: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2654.559024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.559024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.559024 (E_RNA) where: Base-Base interactions energy: -1878.093 where: short stacking energy: -777.148 Base-Backbone interact. energy: -3.503 local terms energy: -772.963546 where: bonds (distance) C4'-P energy: -141.572 bonds (distance) P-C4' energy: -149.497 flat angles C4'-P-C4' energy: -164.654 flat angles P-C4'-P energy: -112.569 tors. eta vs tors. theta energy: -204.671 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: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2625.883838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.883838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.883838 (E_RNA) where: Base-Base interactions energy: -1858.399 where: short stacking energy: -799.742 Base-Backbone interact. energy: -5.074 local terms energy: -762.411254 where: bonds (distance) C4'-P energy: -143.459 bonds (distance) P-C4' energy: -127.374 flat angles C4'-P-C4' energy: -164.069 flat angles P-C4'-P energy: -109.962 tors. eta vs tors. theta energy: -217.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2341.441898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.441898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.441898 (E_RNA) where: Base-Base interactions energy: -1600.543 where: short stacking energy: -702.104 Base-Backbone interact. energy: -2.214 local terms energy: -738.684777 where: bonds (distance) C4'-P energy: -137.616 bonds (distance) P-C4' energy: -146.640 flat angles C4'-P-C4' energy: -168.292 flat angles P-C4'-P energy: -103.136 tors. eta vs tors. theta energy: -183.001 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: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2215.689299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.689299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.689299 (E_RNA) where: Base-Base interactions energy: -1562.740 where: short stacking energy: -660.587 Base-Backbone interact. energy: 1.078 local terms energy: -654.026990 where: bonds (distance) C4'-P energy: -125.369 bonds (distance) P-C4' energy: -142.143 flat angles C4'-P-C4' energy: -154.018 flat angles P-C4'-P energy: -84.072 tors. eta vs tors. theta energy: -148.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1949.850225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.850225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.850225 (E_RNA) where: Base-Base interactions energy: -1342.775 where: short stacking energy: -562.835 Base-Backbone interact. energy: -2.990 local terms energy: -604.084780 where: bonds (distance) C4'-P energy: -120.821 bonds (distance) P-C4' energy: -135.359 flat angles C4'-P-C4' energy: -140.541 flat angles P-C4'-P energy: -87.349 tors. eta vs tors. theta energy: -120.015 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: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1729.921608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.921608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.921608 (E_RNA) where: Base-Base interactions energy: -1182.931 where: short stacking energy: -525.747 Base-Backbone interact. energy: 4.713 local terms energy: -551.704240 where: bonds (distance) C4'-P energy: -109.709 bonds (distance) P-C4' energy: -139.197 flat angles C4'-P-C4' energy: -126.492 flat angles P-C4'-P energy: -80.385 tors. eta vs tors. theta energy: -95.921 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: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1349.974515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.974515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.974515 (E_RNA) where: Base-Base interactions energy: -876.847 where: short stacking energy: -367.664 Base-Backbone interact. energy: 3.151 local terms energy: -476.278861 where: bonds (distance) C4'-P energy: -116.021 bonds (distance) P-C4' energy: -113.443 flat angles C4'-P-C4' energy: -111.265 flat angles P-C4'-P energy: -81.970 tors. eta vs tors. theta energy: -53.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2983.968301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.968301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.968301 (E_RNA) where: Base-Base interactions energy: -2134.691 where: short stacking energy: -897.148 Base-Backbone interact. energy: -2.034 local terms energy: -847.243607 where: bonds (distance) C4'-P energy: -149.386 bonds (distance) P-C4' energy: -159.416 flat angles C4'-P-C4' energy: -190.780 flat angles P-C4'-P energy: -115.477 tors. eta vs tors. theta energy: -232.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2860.827126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.827126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.827126 (E_RNA) where: Base-Base interactions energy: -2035.220 where: short stacking energy: -865.914 Base-Backbone interact. energy: -0.220 local terms energy: -825.387225 where: bonds (distance) C4'-P energy: -161.532 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -177.172 flat angles P-C4'-P energy: -121.890 tors. eta vs tors. theta energy: -221.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2747.401922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.401922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.401922 (E_RNA) where: Base-Base interactions energy: -1973.075 where: short stacking energy: -830.141 Base-Backbone interact. energy: 3.263 local terms energy: -777.590295 where: bonds (distance) C4'-P energy: -134.713 bonds (distance) P-C4' energy: -140.285 flat angles C4'-P-C4' energy: -176.881 flat angles P-C4'-P energy: -114.856 tors. eta vs tors. theta energy: -210.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2675.958110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.958110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.958110 (E_RNA) where: Base-Base interactions energy: -1902.957 where: short stacking energy: -806.453 Base-Backbone interact. energy: -0.544 local terms energy: -772.457285 where: bonds (distance) C4'-P energy: -144.729 bonds (distance) P-C4' energy: -163.082 flat angles C4'-P-C4' energy: -152.711 flat angles P-C4'-P energy: -104.218 tors. eta vs tors. theta energy: -207.718 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: 5, replica: 3 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2590.034376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.034376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.034376 (E_RNA) where: Base-Base interactions energy: -1854.395 where: short stacking energy: -795.086 Base-Backbone interact. energy: -3.216 local terms energy: -732.423536 where: bonds (distance) C4'-P energy: -139.735 bonds (distance) P-C4' energy: -135.445 flat angles C4'-P-C4' energy: -160.917 flat angles P-C4'-P energy: -77.187 tors. eta vs tors. theta energy: -219.139 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: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2417.717047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.717047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.717047 (E_RNA) where: Base-Base interactions energy: -1665.417 where: short stacking energy: -735.878 Base-Backbone interact. energy: -2.897 local terms energy: -749.403628 where: bonds (distance) C4'-P energy: -145.597 bonds (distance) P-C4' energy: -143.096 flat angles C4'-P-C4' energy: -173.249 flat angles P-C4'-P energy: -88.327 tors. eta vs tors. theta energy: -199.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2209.013355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.013355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.013355 (E_RNA) where: Base-Base interactions energy: -1541.063 where: short stacking energy: -667.110 Base-Backbone interact. energy: -4.856 local terms energy: -663.095150 where: bonds (distance) C4'-P energy: -121.273 bonds (distance) P-C4' energy: -130.518 flat angles C4'-P-C4' energy: -154.591 flat angles P-C4'-P energy: -101.949 tors. eta vs tors. theta energy: -154.765 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: 248 Temperature: 1.250000 Total energy: -1909.515677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.515677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.515677 (E_RNA) where: Base-Base interactions energy: -1290.841 where: short stacking energy: -579.517 Base-Backbone interact. energy: 0.425 local terms energy: -619.100071 where: bonds (distance) C4'-P energy: -148.800 bonds (distance) P-C4' energy: -124.837 flat angles C4'-P-C4' energy: -158.590 flat angles P-C4'-P energy: -60.994 tors. eta vs tors. theta energy: -125.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1831.139507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.139507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.139507 (E_RNA) where: Base-Base interactions energy: -1236.665 where: short stacking energy: -521.154 Base-Backbone interact. energy: -4.372 local terms energy: -590.102961 where: bonds (distance) C4'-P energy: -114.264 bonds (distance) P-C4' energy: -142.210 flat angles C4'-P-C4' energy: -128.558 flat angles P-C4'-P energy: -90.722 tors. eta vs tors. theta energy: -114.349 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: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1311.309199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.309199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.309199 (E_RNA) where: Base-Base interactions energy: -844.008 where: short stacking energy: -403.359 Base-Backbone interact. energy: 2.441 local terms energy: -469.742317 where: bonds (distance) C4'-P energy: -105.126 bonds (distance) P-C4' energy: -120.299 flat angles C4'-P-C4' energy: -120.337 flat angles P-C4'-P energy: -80.620 tors. eta vs tors. theta energy: -43.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3025.076500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.076500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.076500 (E_RNA) where: Base-Base interactions energy: -2169.620 where: short stacking energy: -881.397 Base-Backbone interact. energy: -4.321 local terms energy: -851.135188 where: bonds (distance) C4'-P energy: -150.261 bonds (distance) P-C4' energy: -159.642 flat angles C4'-P-C4' energy: -192.608 flat angles P-C4'-P energy: -116.743 tors. eta vs tors. theta energy: -231.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2879.766224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.766224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.766224 (E_RNA) where: Base-Base interactions energy: -2049.789 where: short stacking energy: -873.814 Base-Backbone interact. energy: -6.167 local terms energy: -823.809980 where: bonds (distance) C4'-P energy: -142.057 bonds (distance) P-C4' energy: -162.440 flat angles C4'-P-C4' energy: -180.940 flat angles P-C4'-P energy: -110.376 tors. eta vs tors. theta energy: -227.997 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: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2733.410865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.410865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.410865 (E_RNA) where: Base-Base interactions energy: -1925.840 where: short stacking energy: -802.276 Base-Backbone interact. energy: -3.272 local terms energy: -804.299029 where: bonds (distance) C4'-P energy: -144.423 bonds (distance) P-C4' energy: -164.228 flat angles C4'-P-C4' energy: -174.725 flat angles P-C4'-P energy: -110.820 tors. eta vs tors. theta energy: -210.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2668.973249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.973249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.973249 (E_RNA) where: Base-Base interactions energy: -1886.006 where: short stacking energy: -796.398 Base-Backbone interact. energy: -4.690 local terms energy: -778.277867 where: bonds (distance) C4'-P energy: -152.315 bonds (distance) P-C4' energy: -149.386 flat angles C4'-P-C4' energy: -155.511 flat angles P-C4'-P energy: -108.623 tors. eta vs tors. theta energy: -212.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2643.984156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.984156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.984156 (E_RNA) where: Base-Base interactions energy: -1881.411 where: short stacking energy: -741.740 Base-Backbone interact. energy: -2.645 local terms energy: -759.927823 where: bonds (distance) C4'-P energy: -136.645 bonds (distance) P-C4' energy: -141.237 flat angles C4'-P-C4' energy: -151.230 flat angles P-C4'-P energy: -115.893 tors. eta vs tors. theta energy: -214.923 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: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2420.274097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.274097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.274097 (E_RNA) where: Base-Base interactions energy: -1680.048 where: short stacking energy: -746.036 Base-Backbone interact. energy: -2.019 local terms energy: -738.206942 where: bonds (distance) C4'-P energy: -134.138 bonds (distance) P-C4' energy: -134.381 flat angles C4'-P-C4' energy: -168.713 flat angles P-C4'-P energy: -101.807 tors. eta vs tors. theta energy: -199.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2251.342559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.342559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.342559 (E_RNA) where: Base-Base interactions energy: -1558.853 where: short stacking energy: -689.107 Base-Backbone interact. energy: 0.516 local terms energy: -693.005064 where: bonds (distance) C4'-P energy: -142.631 bonds (distance) P-C4' energy: -125.036 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -97.499 tors. eta vs tors. theta energy: -167.782 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: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1784.277670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.277670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.277670 (E_RNA) where: Base-Base interactions energy: -1216.700 where: short stacking energy: -522.905 Base-Backbone interact. energy: -3.297 local terms energy: -564.280379 where: bonds (distance) C4'-P energy: -134.237 bonds (distance) P-C4' energy: -126.622 flat angles C4'-P-C4' energy: -143.827 flat angles P-C4'-P energy: -74.347 tors. eta vs tors. theta energy: -85.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1795.363001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.363001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.363001 (E_RNA) where: Base-Base interactions energy: -1209.091 where: short stacking energy: -525.586 Base-Backbone interact. energy: -2.643 local terms energy: -583.629028 where: bonds (distance) C4'-P energy: -118.402 bonds (distance) P-C4' energy: -123.089 flat angles C4'-P-C4' energy: -143.700 flat angles P-C4'-P energy: -82.501 tors. eta vs tors. theta energy: -115.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1388.789081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.789081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.789081 (E_RNA) where: Base-Base interactions energy: -888.987 where: short stacking energy: -391.128 Base-Backbone interact. energy: -1.656 local terms energy: -498.145630 where: bonds (distance) C4'-P energy: -118.556 bonds (distance) P-C4' energy: -114.400 flat angles C4'-P-C4' energy: -137.218 flat angles P-C4'-P energy: -82.745 tors. eta vs tors. theta energy: -45.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3011.637020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.637020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.637020 (E_RNA) where: Base-Base interactions energy: -2132.156 where: short stacking energy: -873.158 Base-Backbone interact. energy: -8.552 local terms energy: -870.928986 where: bonds (distance) C4'-P energy: -162.230 bonds (distance) P-C4' energy: -179.050 flat angles C4'-P-C4' energy: -179.638 flat angles P-C4'-P energy: -118.594 tors. eta vs tors. theta energy: -231.417 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: 2, replica: 1 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2910.735693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.735693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.735693 (E_RNA) where: Base-Base interactions energy: -2047.092 where: short stacking energy: -854.926 Base-Backbone interact. energy: -4.817 local terms energy: -858.826693 where: bonds (distance) C4'-P energy: -149.173 bonds (distance) P-C4' energy: -162.696 flat angles C4'-P-C4' energy: -183.671 flat angles P-C4'-P energy: -130.115 tors. eta vs tors. theta energy: -233.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2714.643894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.643894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.643894 (E_RNA) where: Base-Base interactions energy: -1903.392 where: short stacking energy: -792.465 Base-Backbone interact. energy: -5.617 local terms energy: -805.634579 where: bonds (distance) C4'-P energy: -151.320 bonds (distance) P-C4' energy: -166.258 flat angles C4'-P-C4' energy: -156.445 flat angles P-C4'-P energy: -121.640 tors. eta vs tors. theta energy: -209.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2735.290462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.290462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.290462 (E_RNA) where: Base-Base interactions energy: -1922.213 where: short stacking energy: -826.671 Base-Backbone interact. energy: -7.716 local terms energy: -805.361789 where: bonds (distance) C4'-P energy: -144.302 bonds (distance) P-C4' energy: -160.026 flat angles C4'-P-C4' energy: -175.579 flat angles P-C4'-P energy: -114.152 tors. eta vs tors. theta energy: -211.303 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: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2594.026111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.026111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.026111 (E_RNA) where: Base-Base interactions energy: -1824.720 where: short stacking energy: -784.461 Base-Backbone interact. energy: -2.832 local terms energy: -766.473751 where: bonds (distance) C4'-P energy: -129.673 bonds (distance) P-C4' energy: -152.072 flat angles C4'-P-C4' energy: -169.012 flat angles P-C4'-P energy: -115.734 tors. eta vs tors. theta energy: -199.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2443.255852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.255852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.255852 (E_RNA) where: Base-Base interactions energy: -1687.348 where: short stacking energy: -730.851 Base-Backbone interact. energy: -2.803 local terms energy: -753.104274 where: bonds (distance) C4'-P energy: -123.503 bonds (distance) P-C4' energy: -150.273 flat angles C4'-P-C4' energy: -160.172 flat angles P-C4'-P energy: -110.885 tors. eta vs tors. theta energy: -208.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2233.625713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.625713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.625713 (E_RNA) where: Base-Base interactions energy: -1529.861 where: short stacking energy: -665.625 Base-Backbone interact. energy: -3.410 local terms energy: -700.355505 where: bonds (distance) C4'-P energy: -144.355 bonds (distance) P-C4' energy: -145.808 flat angles C4'-P-C4' energy: -151.104 flat angles P-C4'-P energy: -90.839 tors. eta vs tors. theta energy: -168.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1795.494999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.494999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.494999 (E_RNA) where: Base-Base interactions energy: -1212.593 where: short stacking energy: -537.636 Base-Backbone interact. energy: 1.992 local terms energy: -584.893983 where: bonds (distance) C4'-P energy: -124.784 bonds (distance) P-C4' energy: -125.634 flat angles C4'-P-C4' energy: -133.557 flat angles P-C4'-P energy: -94.018 tors. eta vs tors. theta energy: -106.900 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: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1815.948041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.948041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.948041 (E_RNA) where: Base-Base interactions energy: -1240.555 where: short stacking energy: -516.673 Base-Backbone interact. energy: 6.186 local terms energy: -581.578356 where: bonds (distance) C4'-P energy: -113.200 bonds (distance) P-C4' energy: -140.933 flat angles C4'-P-C4' energy: -141.343 flat angles P-C4'-P energy: -88.742 tors. eta vs tors. theta energy: -97.361 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: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1477.377425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.377425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.377425 (E_RNA) where: Base-Base interactions energy: -975.081 where: short stacking energy: -484.845 Base-Backbone interact. energy: -1.195 local terms energy: -501.100921 where: bonds (distance) C4'-P energy: -125.362 bonds (distance) P-C4' energy: -105.094 flat angles C4'-P-C4' energy: -106.906 flat angles P-C4'-P energy: -74.552 tors. eta vs tors. theta energy: -89.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3014.776011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.776011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.776011 (E_RNA) where: Base-Base interactions energy: -2127.897 where: short stacking energy: -878.006 Base-Backbone interact. energy: -3.335 local terms energy: -883.544029 where: bonds (distance) C4'-P energy: -167.471 bonds (distance) P-C4' energy: -166.195 flat angles C4'-P-C4' energy: -187.360 flat angles P-C4'-P energy: -117.752 tors. eta vs tors. theta energy: -244.766 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: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2874.294099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.294099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.294099 (E_RNA) where: Base-Base interactions energy: -2025.001 where: short stacking energy: -864.187 Base-Backbone interact. energy: 1.983 local terms energy: -851.276242 where: bonds (distance) C4'-P energy: -169.161 bonds (distance) P-C4' energy: -158.888 flat angles C4'-P-C4' energy: -177.830 flat angles P-C4'-P energy: -115.922 tors. eta vs tors. theta energy: -229.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2733.286337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.286337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.286337 (E_RNA) where: Base-Base interactions energy: -1943.234 where: short stacking energy: -813.958 Base-Backbone interact. energy: -1.239 local terms energy: -788.813479 where: bonds (distance) C4'-P energy: -147.603 bonds (distance) P-C4' energy: -156.596 flat angles C4'-P-C4' energy: -171.357 flat angles P-C4'-P energy: -106.819 tors. eta vs tors. theta energy: -206.439 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: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2674.189153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.189153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.189153 (E_RNA) where: Base-Base interactions energy: -1923.726 where: short stacking energy: -807.490 Base-Backbone interact. energy: -2.012 local terms energy: -748.451868 where: bonds (distance) C4'-P energy: -114.258 bonds (distance) P-C4' energy: -157.359 flat angles C4'-P-C4' energy: -152.615 flat angles P-C4'-P energy: -104.306 tors. eta vs tors. theta energy: -219.914 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: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2657.611934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.611934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.611934 (E_RNA) where: Base-Base interactions energy: -1917.585 where: short stacking energy: -830.438 Base-Backbone interact. energy: 2.149 local terms energy: -742.176019 where: bonds (distance) C4'-P energy: -141.047 bonds (distance) P-C4' energy: -128.379 flat angles C4'-P-C4' energy: -160.967 flat angles P-C4'-P energy: -109.474 tors. eta vs tors. theta energy: -202.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2435.434785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.434785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.434785 (E_RNA) where: Base-Base interactions energy: -1677.187 where: short stacking energy: -741.354 Base-Backbone interact. energy: -4.974 local terms energy: -753.273317 where: bonds (distance) C4'-P energy: -145.924 bonds (distance) P-C4' energy: -146.731 flat angles C4'-P-C4' energy: -160.664 flat angles P-C4'-P energy: -93.729 tors. eta vs tors. theta energy: -206.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2241.288033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.288033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.288033 (E_RNA) where: Base-Base interactions energy: -1555.464 where: short stacking energy: -665.011 Base-Backbone interact. energy: 2.382 local terms energy: -688.206456 where: bonds (distance) C4'-P energy: -137.925 bonds (distance) P-C4' energy: -136.261 flat angles C4'-P-C4' energy: -152.581 flat angles P-C4'-P energy: -98.086 tors. eta vs tors. theta energy: -163.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -2103.183921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.183921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.183921 (E_RNA) where: Base-Base interactions energy: -1433.114 where: short stacking energy: -622.141 Base-Backbone interact. energy: 1.464 local terms energy: -671.534368 where: bonds (distance) C4'-P energy: -149.917 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -140.196 flat angles P-C4'-P energy: -104.678 tors. eta vs tors. theta energy: -155.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1779.418947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.418947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.418947 (E_RNA) where: Base-Base interactions energy: -1181.576 where: short stacking energy: -503.283 Base-Backbone interact. energy: -3.861 local terms energy: -593.982102 where: bonds (distance) C4'-P energy: -104.380 bonds (distance) P-C4' energy: -136.855 flat angles C4'-P-C4' energy: -149.269 flat angles P-C4'-P energy: -100.901 tors. eta vs tors. theta energy: -102.577 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: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1376.054293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.054293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.054293 (E_RNA) where: Base-Base interactions energy: -882.670 where: short stacking energy: -382.441 Base-Backbone interact. energy: 1.643 local terms energy: -495.027028 where: bonds (distance) C4'-P energy: -124.445 bonds (distance) P-C4' energy: -115.566 flat angles C4'-P-C4' energy: -127.714 flat angles P-C4'-P energy: -82.241 tors. eta vs tors. theta energy: -45.062 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: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2987.177514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.177514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.177514 (E_RNA) where: Base-Base interactions energy: -2124.246 where: short stacking energy: -879.286 Base-Backbone interact. energy: -5.515 local terms energy: -857.415744 where: bonds (distance) C4'-P energy: -156.286 bonds (distance) P-C4' energy: -177.628 flat angles C4'-P-C4' energy: -169.047 flat angles P-C4'-P energy: -122.203 tors. eta vs tors. theta energy: -232.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2877.630441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.630441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.630441 (E_RNA) where: Base-Base interactions energy: -2033.664 where: short stacking energy: -859.893 Base-Backbone interact. energy: -5.052 local terms energy: -838.914619 where: bonds (distance) C4'-P energy: -153.089 bonds (distance) P-C4' energy: -161.563 flat angles C4'-P-C4' energy: -177.979 flat angles P-C4'-P energy: -122.811 tors. eta vs tors. theta energy: -223.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2727.332645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.332645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.332645 (E_RNA) where: Base-Base interactions energy: -1943.513 where: short stacking energy: -820.256 Base-Backbone interact. energy: -4.387 local terms energy: -779.431676 where: bonds (distance) C4'-P energy: -157.487 bonds (distance) P-C4' energy: -138.521 flat angles C4'-P-C4' energy: -165.917 flat angles P-C4'-P energy: -104.780 tors. eta vs tors. theta energy: -212.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2684.931962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.931962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.931962 (E_RNA) where: Base-Base interactions energy: -1869.485 where: short stacking energy: -813.631 Base-Backbone interact. energy: -2.820 local terms energy: -812.627661 where: bonds (distance) C4'-P energy: -153.344 bonds (distance) P-C4' energy: -167.588 flat angles C4'-P-C4' energy: -169.898 flat angles P-C4'-P energy: -103.426 tors. eta vs tors. theta energy: -218.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2623.025453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.025453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.025453 (E_RNA) where: Base-Base interactions energy: -1874.367 where: short stacking energy: -771.089 Base-Backbone interact. energy: -2.367 local terms energy: -746.291443 where: bonds (distance) C4'-P energy: -145.422 bonds (distance) P-C4' energy: -132.766 flat angles C4'-P-C4' energy: -161.294 flat angles P-C4'-P energy: -105.665 tors. eta vs tors. theta energy: -201.144 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: 6, replica: 7 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2453.662159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.662159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.662159 (E_RNA) where: Base-Base interactions energy: -1696.498 where: short stacking energy: -733.161 Base-Backbone interact. energy: -6.483 local terms energy: -750.681404 where: bonds (distance) C4'-P energy: -129.722 bonds (distance) P-C4' energy: -134.013 flat angles C4'-P-C4' energy: -174.544 flat angles P-C4'-P energy: -105.777 tors. eta vs tors. theta energy: -206.626 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: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2276.622898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.622898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.622898 (E_RNA) where: Base-Base interactions energy: -1628.059 where: short stacking energy: -708.192 Base-Backbone interact. energy: 6.988 local terms energy: -655.551276 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -119.584 flat angles C4'-P-C4' energy: -152.266 flat angles P-C4'-P energy: -91.941 tors. eta vs tors. theta energy: -164.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -2048.192809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.192809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.192809 (E_RNA) where: Base-Base interactions energy: -1383.461 where: short stacking energy: -606.641 Base-Backbone interact. energy: -4.094 local terms energy: -660.637307 where: bonds (distance) C4'-P energy: -144.756 bonds (distance) P-C4' energy: -137.837 flat angles C4'-P-C4' energy: -166.370 flat angles P-C4'-P energy: -80.360 tors. eta vs tors. theta energy: -131.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1744.872373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.872373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.872373 (E_RNA) where: Base-Base interactions energy: -1160.738 where: short stacking energy: -505.705 Base-Backbone interact. energy: 0.772 local terms energy: -584.906807 where: bonds (distance) C4'-P energy: -117.487 bonds (distance) P-C4' energy: -146.879 flat angles C4'-P-C4' energy: -134.181 flat angles P-C4'-P energy: -77.806 tors. eta vs tors. theta energy: -108.554 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: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1346.924386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.924386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.924386 (E_RNA) where: Base-Base interactions energy: -845.634 where: short stacking energy: -388.047 Base-Backbone interact. energy: -1.275 local terms energy: -500.016139 where: bonds (distance) C4'-P energy: -115.331 bonds (distance) P-C4' energy: -120.677 flat angles C4'-P-C4' energy: -138.196 flat angles P-C4'-P energy: -78.972 tors. eta vs tors. theta energy: -46.840 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: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3016.176316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.176316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.176316 (E_RNA) where: Base-Base interactions energy: -2144.833 where: short stacking energy: -905.273 Base-Backbone interact. energy: -2.962 local terms energy: -868.381394 where: bonds (distance) C4'-P energy: -152.734 bonds (distance) P-C4' energy: -156.268 flat angles C4'-P-C4' energy: -193.782 flat angles P-C4'-P energy: -127.253 tors. eta vs tors. theta energy: -238.344 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: 1 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2878.252057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.252057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.252057 (E_RNA) where: Base-Base interactions energy: -2059.121 where: short stacking energy: -830.603 Base-Backbone interact. energy: 0.617 local terms energy: -819.748319 where: bonds (distance) C4'-P energy: -164.965 bonds (distance) P-C4' energy: -163.955 flat angles C4'-P-C4' energy: -163.914 flat angles P-C4'-P energy: -118.857 tors. eta vs tors. theta energy: -208.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2751.990152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.990152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.990152 (E_RNA) where: Base-Base interactions energy: -1933.526 where: short stacking energy: -804.707 Base-Backbone interact. energy: -3.114 local terms energy: -815.350190 where: bonds (distance) C4'-P energy: -137.550 bonds (distance) P-C4' energy: -152.488 flat angles C4'-P-C4' energy: -167.992 flat angles P-C4'-P energy: -132.007 tors. eta vs tors. theta energy: -225.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2753.154335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.154335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.154335 (E_RNA) where: Base-Base interactions energy: -1950.423 where: short stacking energy: -818.088 Base-Backbone interact. energy: 1.014 local terms energy: -803.744730 where: bonds (distance) C4'-P energy: -141.666 bonds (distance) P-C4' energy: -156.706 flat angles C4'-P-C4' energy: -167.845 flat angles P-C4'-P energy: -110.521 tors. eta vs tors. theta energy: -227.007 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: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2630.401340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.401340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.401340 (E_RNA) where: Base-Base interactions energy: -1864.194 where: short stacking energy: -785.024 Base-Backbone interact. energy: -6.455 local terms energy: -759.752151 where: bonds (distance) C4'-P energy: -150.795 bonds (distance) P-C4' energy: -145.580 flat angles C4'-P-C4' energy: -172.446 flat angles P-C4'-P energy: -89.702 tors. eta vs tors. theta energy: -201.230 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: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2358.946625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.946625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.946625 (E_RNA) where: Base-Base interactions energy: -1649.178 where: short stacking energy: -687.009 Base-Backbone interact. energy: -4.771 local terms energy: -704.997389 where: bonds (distance) C4'-P energy: -140.085 bonds (distance) P-C4' energy: -168.851 flat angles C4'-P-C4' energy: -131.271 flat angles P-C4'-P energy: -96.089 tors. eta vs tors. theta energy: -168.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2341.178041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.178041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.178041 (E_RNA) where: Base-Base interactions energy: -1600.739 where: short stacking energy: -713.308 Base-Backbone interact. energy: -1.121 local terms energy: -739.318604 where: bonds (distance) C4'-P energy: -134.459 bonds (distance) P-C4' energy: -141.951 flat angles C4'-P-C4' energy: -148.625 flat angles P-C4'-P energy: -114.066 tors. eta vs tors. theta energy: -200.217 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: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -2008.331431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.331431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.331431 (E_RNA) where: Base-Base interactions energy: -1341.378 where: short stacking energy: -584.496 Base-Backbone interact. energy: -0.881 local terms energy: -666.072203 where: bonds (distance) C4'-P energy: -153.215 bonds (distance) P-C4' energy: -154.521 flat angles C4'-P-C4' energy: -142.619 flat angles P-C4'-P energy: -82.811 tors. eta vs tors. theta energy: -132.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1729.418081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.418081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.418081 (E_RNA) where: Base-Base interactions energy: -1154.034 where: short stacking energy: -501.322 Base-Backbone interact. energy: -1.613 local terms energy: -573.771047 where: bonds (distance) C4'-P energy: -127.084 bonds (distance) P-C4' energy: -124.458 flat angles C4'-P-C4' energy: -115.408 flat angles P-C4'-P energy: -96.605 tors. eta vs tors. theta energy: -110.216 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: 10, replica: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1402.191499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.191499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.191499 (E_RNA) where: Base-Base interactions energy: -902.698 where: short stacking energy: -430.723 Base-Backbone interact. energy: -3.294 local terms energy: -496.199329 where: bonds (distance) C4'-P energy: -107.584 bonds (distance) P-C4' energy: -134.573 flat angles C4'-P-C4' energy: -120.000 flat angles P-C4'-P energy: -65.768 tors. eta vs tors. theta energy: -68.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3009.390473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.390473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.390473 (E_RNA) where: Base-Base interactions energy: -2151.404 where: short stacking energy: -898.036 Base-Backbone interact. energy: -6.599 local terms energy: -851.387116 where: bonds (distance) C4'-P energy: -150.614 bonds (distance) P-C4' energy: -165.648 flat angles C4'-P-C4' energy: -184.524 flat angles P-C4'-P energy: -119.112 tors. eta vs tors. theta energy: -231.490 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: 2, replica: 1 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2893.554487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.554487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.554487 (E_RNA) where: Base-Base interactions energy: -2063.987 where: short stacking energy: -866.040 Base-Backbone interact. energy: -2.780 local terms energy: -826.787444 where: bonds (distance) C4'-P energy: -147.000 bonds (distance) P-C4' energy: -159.706 flat angles C4'-P-C4' energy: -166.586 flat angles P-C4'-P energy: -132.341 tors. eta vs tors. theta energy: -221.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2791.058637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.058637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.058637 (E_RNA) where: Base-Base interactions energy: -1951.766 where: short stacking energy: -823.560 Base-Backbone interact. energy: -3.488 local terms energy: -835.804830 where: bonds (distance) C4'-P energy: -155.122 bonds (distance) P-C4' energy: -158.390 flat angles C4'-P-C4' energy: -179.768 flat angles P-C4'-P energy: -119.810 tors. eta vs tors. theta energy: -222.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2756.247996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.247996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.247996 (E_RNA) where: Base-Base interactions energy: -1939.873 where: short stacking energy: -847.586 Base-Backbone interact. energy: 1.505 local terms energy: -817.880042 where: bonds (distance) C4'-P energy: -141.258 bonds (distance) P-C4' energy: -152.521 flat angles C4'-P-C4' energy: -170.297 flat angles P-C4'-P energy: -106.870 tors. eta vs tors. theta energy: -246.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2611.238721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.238721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.238721 (E_RNA) where: Base-Base interactions energy: -1873.192 where: short stacking energy: -771.070 Base-Backbone interact. energy: -3.644 local terms energy: -734.402531 where: bonds (distance) C4'-P energy: -124.044 bonds (distance) P-C4' energy: -138.484 flat angles C4'-P-C4' energy: -161.382 flat angles P-C4'-P energy: -111.091 tors. eta vs tors. theta energy: -199.401 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: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2386.632680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.632680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.632680 (E_RNA) where: Base-Base interactions energy: -1672.150 where: short stacking energy: -695.928 Base-Backbone interact. energy: -0.406 local terms energy: -714.076471 where: bonds (distance) C4'-P energy: -142.598 bonds (distance) P-C4' energy: -142.186 flat angles C4'-P-C4' energy: -151.452 flat angles P-C4'-P energy: -98.548 tors. eta vs tors. theta energy: -179.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2275.832188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.832188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.832188 (E_RNA) where: Base-Base interactions energy: -1570.641 where: short stacking energy: -680.399 Base-Backbone interact. energy: -1.183 local terms energy: -704.008039 where: bonds (distance) C4'-P energy: -124.405 bonds (distance) P-C4' energy: -141.209 flat angles C4'-P-C4' energy: -152.862 flat angles P-C4'-P energy: -105.964 tors. eta vs tors. theta energy: -179.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -2087.065927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.065927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.065927 (E_RNA) where: Base-Base interactions energy: -1491.042 where: short stacking energy: -610.492 Base-Backbone interact. energy: -6.391 local terms energy: -589.632600 where: bonds (distance) C4'-P energy: -123.215 bonds (distance) P-C4' energy: -102.621 flat angles C4'-P-C4' energy: -152.613 flat angles P-C4'-P energy: -81.885 tors. eta vs tors. theta energy: -129.299 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: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1746.233373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.233373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.233373 (E_RNA) where: Base-Base interactions energy: -1173.425 where: short stacking energy: -535.098 Base-Backbone interact. energy: 1.425 local terms energy: -574.233062 where: bonds (distance) C4'-P energy: -112.675 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -139.383 flat angles P-C4'-P energy: -82.792 tors. eta vs tors. theta energy: -106.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1484.981907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.981907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.981907 (E_RNA) where: Base-Base interactions energy: -904.693 where: short stacking energy: -407.130 Base-Backbone interact. energy: -2.001 local terms energy: -578.287279 where: bonds (distance) C4'-P energy: -135.322 bonds (distance) P-C4' energy: -130.345 flat angles C4'-P-C4' energy: -134.306 flat angles P-C4'-P energy: -103.691 tors. eta vs tors. theta energy: -74.623 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: 1, replica: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3023.353520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.353520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.353520 (E_RNA) where: Base-Base interactions energy: -2159.584 where: short stacking energy: -902.140 Base-Backbone interact. energy: -6.168 local terms energy: -857.601519 where: bonds (distance) C4'-P energy: -160.827 bonds (distance) P-C4' energy: -163.726 flat angles C4'-P-C4' energy: -184.910 flat angles P-C4'-P energy: -109.161 tors. eta vs tors. theta energy: -238.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2865.424940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.424940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.424940 (E_RNA) where: Base-Base interactions energy: -2045.654 where: short stacking energy: -857.437 Base-Backbone interact. energy: -3.522 local terms energy: -816.249048 where: bonds (distance) C4'-P energy: -153.460 bonds (distance) P-C4' energy: -162.200 flat angles C4'-P-C4' energy: -162.947 flat angles P-C4'-P energy: -119.701 tors. eta vs tors. theta energy: -217.941 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: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2756.188067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.188067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.188067 (E_RNA) where: Base-Base interactions energy: -1949.865 where: short stacking energy: -808.936 Base-Backbone interact. energy: -6.282 local terms energy: -800.041167 where: bonds (distance) C4'-P energy: -158.924 bonds (distance) P-C4' energy: -139.953 flat angles C4'-P-C4' energy: -174.358 flat angles P-C4'-P energy: -111.520 tors. eta vs tors. theta energy: -215.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2737.457476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.457476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.457476 (E_RNA) where: Base-Base interactions energy: -1969.628 where: short stacking energy: -855.119 Base-Backbone interact. energy: -3.323 local terms energy: -764.506564 where: bonds (distance) C4'-P energy: -130.722 bonds (distance) P-C4' energy: -137.435 flat angles C4'-P-C4' energy: -160.270 flat angles P-C4'-P energy: -108.135 tors. eta vs tors. theta energy: -227.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2535.704811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.704811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.704811 (E_RNA) where: Base-Base interactions energy: -1805.689 where: short stacking energy: -731.432 Base-Backbone interact. energy: 1.756 local terms energy: -731.771631 where: bonds (distance) C4'-P energy: -153.259 bonds (distance) P-C4' energy: -137.461 flat angles C4'-P-C4' energy: -159.957 flat angles P-C4'-P energy: -107.128 tors. eta vs tors. theta energy: -173.966 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: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2406.303824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.303824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.303824 (E_RNA) where: Base-Base interactions energy: -1677.756 where: short stacking energy: -703.726 Base-Backbone interact. energy: -2.410 local terms energy: -726.137839 where: bonds (distance) C4'-P energy: -128.091 bonds (distance) P-C4' energy: -146.534 flat angles C4'-P-C4' energy: -167.804 flat angles P-C4'-P energy: -102.317 tors. eta vs tors. theta energy: -181.392 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: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2268.201449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.201449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.201449 (E_RNA) where: Base-Base interactions energy: -1617.888 where: short stacking energy: -678.085 Base-Backbone interact. energy: 2.823 local terms energy: -653.136218 where: bonds (distance) C4'-P energy: -145.610 bonds (distance) P-C4' energy: -126.110 flat angles C4'-P-C4' energy: -145.238 flat angles P-C4'-P energy: -79.391 tors. eta vs tors. theta energy: -156.787 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: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -2088.682953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.682953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.682953 (E_RNA) where: Base-Base interactions energy: -1469.938 where: short stacking energy: -626.978 Base-Backbone interact. energy: 1.325 local terms energy: -620.070193 where: bonds (distance) C4'-P energy: -129.428 bonds (distance) P-C4' energy: -126.487 flat angles C4'-P-C4' energy: -153.308 flat angles P-C4'-P energy: -88.880 tors. eta vs tors. theta energy: -121.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1652.365253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.365253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.365253 (E_RNA) where: Base-Base interactions energy: -1069.967 where: short stacking energy: -495.526 Base-Backbone interact. energy: 2.163 local terms energy: -584.561512 where: bonds (distance) C4'-P energy: -126.424 bonds (distance) P-C4' energy: -133.800 flat angles C4'-P-C4' energy: -146.217 flat angles P-C4'-P energy: -84.098 tors. eta vs tors. theta energy: -94.022 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: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1448.937743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.937743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.937743 (E_RNA) where: Base-Base interactions energy: -964.882 where: short stacking energy: -460.642 Base-Backbone interact. energy: -1.655 local terms energy: -482.400762 where: bonds (distance) C4'-P energy: -102.279 bonds (distance) P-C4' energy: -118.186 flat angles C4'-P-C4' energy: -123.416 flat angles P-C4'-P energy: -65.058 tors. eta vs tors. theta energy: -73.462 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: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3037.231709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.231709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.231709 (E_RNA) where: Base-Base interactions energy: -2166.682 where: short stacking energy: -906.274 Base-Backbone interact. energy: -7.301 local terms energy: -863.248966 where: bonds (distance) C4'-P energy: -163.538 bonds (distance) P-C4' energy: -170.414 flat angles C4'-P-C4' energy: -172.729 flat angles P-C4'-P energy: -113.552 tors. eta vs tors. theta energy: -243.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2879.529458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.529458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.529458 (E_RNA) where: Base-Base interactions energy: -2029.710 where: short stacking energy: -836.131 Base-Backbone interact. energy: 0.678 local terms energy: -850.497270 where: bonds (distance) C4'-P energy: -159.744 bonds (distance) P-C4' energy: -174.954 flat angles C4'-P-C4' energy: -172.345 flat angles P-C4'-P energy: -122.037 tors. eta vs tors. theta energy: -221.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2805.504211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.504211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.504211 (E_RNA) where: Base-Base interactions energy: -1983.729 where: short stacking energy: -845.819 Base-Backbone interact. energy: -4.134 local terms energy: -817.641307 where: bonds (distance) C4'-P energy: -151.203 bonds (distance) P-C4' energy: -146.132 flat angles C4'-P-C4' energy: -171.091 flat angles P-C4'-P energy: -114.873 tors. eta vs tors. theta energy: -234.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2705.208436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.208436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.208436 (E_RNA) where: Base-Base interactions energy: -1926.376 where: short stacking energy: -807.276 Base-Backbone interact. energy: -4.532 local terms energy: -774.300342 where: bonds (distance) C4'-P energy: -125.217 bonds (distance) P-C4' energy: -157.337 flat angles C4'-P-C4' energy: -168.164 flat angles P-C4'-P energy: -113.531 tors. eta vs tors. theta energy: -210.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2583.691084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.691084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.691084 (E_RNA) where: Base-Base interactions energy: -1859.822 where: short stacking energy: -761.157 Base-Backbone interact. energy: -1.191 local terms energy: -722.677366 where: bonds (distance) C4'-P energy: -137.281 bonds (distance) P-C4' energy: -134.036 flat angles C4'-P-C4' energy: -163.357 flat angles P-C4'-P energy: -94.139 tors. eta vs tors. theta energy: -193.865 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: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2398.465741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.465741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.465741 (E_RNA) where: Base-Base interactions energy: -1674.886 where: short stacking energy: -710.384 Base-Backbone interact. energy: -2.716 local terms energy: -720.863984 where: bonds (distance) C4'-P energy: -121.759 bonds (distance) P-C4' energy: -133.910 flat angles C4'-P-C4' energy: -161.920 flat angles P-C4'-P energy: -107.212 tors. eta vs tors. theta energy: -196.063 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: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2227.436323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.436323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.436323 (E_RNA) where: Base-Base interactions energy: -1541.970 where: short stacking energy: -682.391 Base-Backbone interact. energy: 1.878 local terms energy: -687.345001 where: bonds (distance) C4'-P energy: -138.497 bonds (distance) P-C4' energy: -118.527 flat angles C4'-P-C4' energy: -156.270 flat angles P-C4'-P energy: -103.198 tors. eta vs tors. theta energy: -170.853 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: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -2074.444857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.444857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.444857 (E_RNA) where: Base-Base interactions energy: -1385.739 where: short stacking energy: -611.545 Base-Backbone interact. energy: 0.400 local terms energy: -689.105811 where: bonds (distance) C4'-P energy: -131.528 bonds (distance) P-C4' energy: -135.263 flat angles C4'-P-C4' energy: -170.872 flat angles P-C4'-P energy: -105.572 tors. eta vs tors. theta energy: -145.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1714.358794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.358794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.358794 (E_RNA) where: Base-Base interactions energy: -1130.134 where: short stacking energy: -497.833 Base-Backbone interact. energy: -2.283 local terms energy: -581.941486 where: bonds (distance) C4'-P energy: -115.099 bonds (distance) P-C4' energy: -127.455 flat angles C4'-P-C4' energy: -152.188 flat angles P-C4'-P energy: -90.561 tors. eta vs tors. theta energy: -96.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1385.231781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.231781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.231781 (E_RNA) where: Base-Base interactions energy: -866.981 where: short stacking energy: -401.775 Base-Backbone interact. energy: -2.109 local terms energy: -516.141609 where: bonds (distance) C4'-P energy: -119.150 bonds (distance) P-C4' energy: -132.630 flat angles C4'-P-C4' energy: -120.908 flat angles P-C4'-P energy: -80.956 tors. eta vs tors. theta energy: -62.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3010.673541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.673541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.673541 (E_RNA) where: Base-Base interactions energy: -2150.635 where: short stacking energy: -884.944 Base-Backbone interact. energy: -3.444 local terms energy: -856.594968 where: bonds (distance) C4'-P energy: -161.620 bonds (distance) P-C4' energy: -153.478 flat angles C4'-P-C4' energy: -182.963 flat angles P-C4'-P energy: -118.327 tors. eta vs tors. theta energy: -240.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2867.761713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.761713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.761713 (E_RNA) where: Base-Base interactions energy: -2047.573 where: short stacking energy: -836.747 Base-Backbone interact. energy: -4.521 local terms energy: -815.667398 where: bonds (distance) C4'-P energy: -152.586 bonds (distance) P-C4' energy: -152.296 flat angles C4'-P-C4' energy: -181.987 flat angles P-C4'-P energy: -108.742 tors. eta vs tors. theta energy: -220.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2826.253274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.253274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.253274 (E_RNA) where: Base-Base interactions energy: -1995.192 where: short stacking energy: -851.215 Base-Backbone interact. energy: -3.566 local terms energy: -827.495342 where: bonds (distance) C4'-P energy: -150.245 bonds (distance) P-C4' energy: -147.997 flat angles C4'-P-C4' energy: -190.444 flat angles P-C4'-P energy: -110.728 tors. eta vs tors. theta energy: -228.083 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: 10 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2644.905450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.905450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.905450 (E_RNA) where: Base-Base interactions energy: -1864.158 where: short stacking energy: -786.257 Base-Backbone interact. energy: 1.138 local terms energy: -781.885167 where: bonds (distance) C4'-P energy: -130.765 bonds (distance) P-C4' energy: -147.359 flat angles C4'-P-C4' energy: -179.721 flat angles P-C4'-P energy: -114.982 tors. eta vs tors. theta energy: -209.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2577.256735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.256735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.256735 (E_RNA) where: Base-Base interactions energy: -1818.902 where: short stacking energy: -759.640 Base-Backbone interact. energy: -5.195 local terms energy: -753.159680 where: bonds (distance) C4'-P energy: -133.819 bonds (distance) P-C4' energy: -153.208 flat angles C4'-P-C4' energy: -160.596 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -206.097 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: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2417.291547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.291547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.291547 (E_RNA) where: Base-Base interactions energy: -1710.001 where: short stacking energy: -702.704 Base-Backbone interact. energy: -4.656 local terms energy: -702.634917 where: bonds (distance) C4'-P energy: -134.781 bonds (distance) P-C4' energy: -125.200 flat angles C4'-P-C4' energy: -158.225 flat angles P-C4'-P energy: -101.191 tors. eta vs tors. theta energy: -183.238 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: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2234.748219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.748219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.748219 (E_RNA) where: Base-Base interactions energy: -1563.428 where: short stacking energy: -706.190 Base-Backbone interact. energy: -0.863 local terms energy: -670.457245 where: bonds (distance) C4'-P energy: -132.374 bonds (distance) P-C4' energy: -120.010 flat angles C4'-P-C4' energy: -159.484 flat angles P-C4'-P energy: -82.510 tors. eta vs tors. theta energy: -176.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -2053.415615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.415615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.415615 (E_RNA) where: Base-Base interactions energy: -1418.751 where: short stacking energy: -628.473 Base-Backbone interact. energy: 0.046 local terms energy: -634.710580 where: bonds (distance) C4'-P energy: -121.776 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -152.219 flat angles P-C4'-P energy: -86.630 tors. eta vs tors. theta energy: -145.935 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: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1736.134659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.134659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.134659 (E_RNA) where: Base-Base interactions energy: -1155.029 where: short stacking energy: -502.430 Base-Backbone interact. energy: -2.388 local terms energy: -578.717712 where: bonds (distance) C4'-P energy: -131.569 bonds (distance) P-C4' energy: -134.451 flat angles C4'-P-C4' energy: -133.950 flat angles P-C4'-P energy: -59.978 tors. eta vs tors. theta energy: -118.770 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: 10, replica: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1357.610800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.610800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.610800 (E_RNA) where: Base-Base interactions energy: -872.403 where: short stacking energy: -411.396 Base-Backbone interact. energy: -2.423 local terms energy: -482.785493 where: bonds (distance) C4'-P energy: -114.968 bonds (distance) P-C4' energy: -140.891 flat angles C4'-P-C4' energy: -111.623 flat angles P-C4'-P energy: -67.981 tors. eta vs tors. theta energy: -47.323 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: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2998.957800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.957800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.957800 (E_RNA) where: Base-Base interactions energy: -2139.595 where: short stacking energy: -891.707 Base-Backbone interact. energy: -5.670 local terms energy: -853.692922 where: bonds (distance) C4'-P energy: -150.518 bonds (distance) P-C4' energy: -163.124 flat angles C4'-P-C4' energy: -184.743 flat angles P-C4'-P energy: -113.797 tors. eta vs tors. theta energy: -241.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2882.807994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.807994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.807994 (E_RNA) where: Base-Base interactions energy: -2048.635 where: short stacking energy: -839.943 Base-Backbone interact. energy: -2.148 local terms energy: -832.025413 where: bonds (distance) C4'-P energy: -159.549 bonds (distance) P-C4' energy: -158.921 flat angles C4'-P-C4' energy: -170.352 flat angles P-C4'-P energy: -117.761 tors. eta vs tors. theta energy: -225.444 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: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2823.680388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.680388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.680388 (E_RNA) where: Base-Base interactions energy: -1988.850 where: short stacking energy: -852.624 Base-Backbone interact. energy: -3.701 local terms energy: -831.128928 where: bonds (distance) C4'-P energy: -125.676 bonds (distance) P-C4' energy: -162.035 flat angles C4'-P-C4' energy: -175.568 flat angles P-C4'-P energy: -131.905 tors. eta vs tors. theta energy: -235.945 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: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2660.980780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.980780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.980780 (E_RNA) where: Base-Base interactions energy: -1884.894 where: short stacking energy: -785.815 Base-Backbone interact. energy: -7.820 local terms energy: -768.266394 where: bonds (distance) C4'-P energy: -149.318 bonds (distance) P-C4' energy: -150.959 flat angles C4'-P-C4' energy: -163.755 flat angles P-C4'-P energy: -103.708 tors. eta vs tors. theta energy: -200.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2559.463843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.463843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.463843 (E_RNA) where: Base-Base interactions energy: -1812.317 where: short stacking energy: -759.935 Base-Backbone interact. energy: -2.062 local terms energy: -745.084957 where: bonds (distance) C4'-P energy: -133.885 bonds (distance) P-C4' energy: -140.805 flat angles C4'-P-C4' energy: -167.466 flat angles P-C4'-P energy: -101.127 tors. eta vs tors. theta energy: -201.803 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: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2336.965487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.965487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.965487 (E_RNA) where: Base-Base interactions energy: -1670.611 where: short stacking energy: -690.021 Base-Backbone interact. energy: 2.438 local terms energy: -668.792881 where: bonds (distance) C4'-P energy: -135.464 bonds (distance) P-C4' energy: -136.935 flat angles C4'-P-C4' energy: -137.131 flat angles P-C4'-P energy: -84.575 tors. eta vs tors. theta energy: -174.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2220.212525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.212525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.212525 (E_RNA) where: Base-Base interactions energy: -1565.907 where: short stacking energy: -679.122 Base-Backbone interact. energy: -1.293 local terms energy: -653.012415 where: bonds (distance) C4'-P energy: -111.875 bonds (distance) P-C4' energy: -109.403 flat angles C4'-P-C4' energy: -153.405 flat angles P-C4'-P energy: -102.026 tors. eta vs tors. theta energy: -176.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1999.253200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.253200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.253200 (E_RNA) where: Base-Base interactions energy: -1382.941 where: short stacking energy: -597.742 Base-Backbone interact. energy: 2.525 local terms energy: -618.837123 where: bonds (distance) C4'-P energy: -135.231 bonds (distance) P-C4' energy: -138.406 flat angles C4'-P-C4' energy: -142.828 flat angles P-C4'-P energy: -85.004 tors. eta vs tors. theta energy: -117.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1720.935869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.935869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.935869 (E_RNA) where: Base-Base interactions energy: -1132.428 where: short stacking energy: -530.410 Base-Backbone interact. energy: 0.185 local terms energy: -588.693197 where: bonds (distance) C4'-P energy: -111.372 bonds (distance) P-C4' energy: -143.633 flat angles C4'-P-C4' energy: -132.318 flat angles P-C4'-P energy: -87.123 tors. eta vs tors. theta energy: -114.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1369.804521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.804521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.804521 (E_RNA) where: Base-Base interactions energy: -840.662 where: short stacking energy: -388.219 Base-Backbone interact. energy: -1.780 local terms energy: -527.362332 where: bonds (distance) C4'-P energy: -132.384 bonds (distance) P-C4' energy: -143.447 flat angles C4'-P-C4' energy: -124.402 flat angles P-C4'-P energy: -83.196 tors. eta vs tors. theta energy: -43.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3024.734611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.734611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.734611 (E_RNA) where: Base-Base interactions energy: -2186.579 where: short stacking energy: -895.676 Base-Backbone interact. energy: -4.322 local terms energy: -833.833413 where: bonds (distance) C4'-P energy: -151.629 bonds (distance) P-C4' energy: -157.711 flat angles C4'-P-C4' energy: -172.201 flat angles P-C4'-P energy: -113.925 tors. eta vs tors. theta energy: -238.367 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: 1 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2890.691840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.691840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.691840 (E_RNA) where: Base-Base interactions energy: -2076.731 where: short stacking energy: -858.577 Base-Backbone interact. energy: 0.715 local terms energy: -814.676137 where: bonds (distance) C4'-P energy: -146.439 bonds (distance) P-C4' energy: -156.529 flat angles C4'-P-C4' energy: -178.703 flat angles P-C4'-P energy: -109.261 tors. eta vs tors. theta energy: -223.745 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: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2787.205498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.205498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.205498 (E_RNA) where: Base-Base interactions energy: -1953.957 where: short stacking energy: -820.251 Base-Backbone interact. energy: -3.048 local terms energy: -830.200828 where: bonds (distance) C4'-P energy: -154.117 bonds (distance) P-C4' energy: -156.682 flat angles C4'-P-C4' energy: -170.232 flat angles P-C4'-P energy: -118.146 tors. eta vs tors. theta energy: -231.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2648.320491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.320491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.320491 (E_RNA) where: Base-Base interactions energy: -1875.252 where: short stacking energy: -789.482 Base-Backbone interact. energy: 0.645 local terms energy: -773.713096 where: bonds (distance) C4'-P energy: -141.973 bonds (distance) P-C4' energy: -150.563 flat angles C4'-P-C4' energy: -173.582 flat angles P-C4'-P energy: -109.724 tors. eta vs tors. theta energy: -197.872 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: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2543.431849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.431849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.431849 (E_RNA) where: Base-Base interactions energy: -1806.950 where: short stacking energy: -741.011 Base-Backbone interact. energy: -2.202 local terms energy: -734.280640 where: bonds (distance) C4'-P energy: -128.748 bonds (distance) P-C4' energy: -151.496 flat angles C4'-P-C4' energy: -172.869 flat angles P-C4'-P energy: -98.653 tors. eta vs tors. theta energy: -182.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2334.160317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.160317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.160317 (E_RNA) where: Base-Base interactions energy: -1668.907 where: short stacking energy: -688.713 Base-Backbone interact. energy: 1.113 local terms energy: -666.366401 where: bonds (distance) C4'-P energy: -118.246 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -153.560 flat angles P-C4'-P energy: -106.173 tors. eta vs tors. theta energy: -158.358 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: 7 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2179.382043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.382043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.382043 (E_RNA) where: Base-Base interactions energy: -1497.230 where: short stacking energy: -667.561 Base-Backbone interact. energy: -4.911 local terms energy: -677.240933 where: bonds (distance) C4'-P energy: -135.289 bonds (distance) P-C4' energy: -130.065 flat angles C4'-P-C4' energy: -153.191 flat angles P-C4'-P energy: -89.974 tors. eta vs tors. theta energy: -168.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -2037.560810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.560810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.560810 (E_RNA) where: Base-Base interactions energy: -1436.327 where: short stacking energy: -626.603 Base-Backbone interact. energy: -1.984 local terms energy: -599.249603 where: bonds (distance) C4'-P energy: -120.642 bonds (distance) P-C4' energy: -141.510 flat angles C4'-P-C4' energy: -138.437 flat angles P-C4'-P energy: -63.842 tors. eta vs tors. theta energy: -134.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1760.096142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.096142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.096142 (E_RNA) where: Base-Base interactions energy: -1181.805 where: short stacking energy: -496.730 Base-Backbone interact. energy: 2.026 local terms energy: -580.317768 where: bonds (distance) C4'-P energy: -136.534 bonds (distance) P-C4' energy: -130.910 flat angles C4'-P-C4' energy: -135.431 flat angles P-C4'-P energy: -77.546 tors. eta vs tors. theta energy: -99.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1370.017665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.017665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.017665 (E_RNA) where: Base-Base interactions energy: -887.745 where: short stacking energy: -414.775 Base-Backbone interact. energy: -3.532 local terms energy: -478.740440 where: bonds (distance) C4'-P energy: -115.856 bonds (distance) P-C4' energy: -124.687 flat angles C4'-P-C4' energy: -112.684 flat angles P-C4'-P energy: -66.651 tors. eta vs tors. theta energy: -58.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3041.695522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.695522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.695522 (E_RNA) where: Base-Base interactions energy: -2146.702 where: short stacking energy: -892.242 Base-Backbone interact. energy: -6.418 local terms energy: -888.575324 where: bonds (distance) C4'-P energy: -171.669 bonds (distance) P-C4' energy: -164.719 flat angles C4'-P-C4' energy: -191.115 flat angles P-C4'-P energy: -125.625 tors. eta vs tors. theta energy: -235.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2867.313531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.313531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.313531 (E_RNA) where: Base-Base interactions energy: -2048.176 where: short stacking energy: -827.911 Base-Backbone interact. energy: -1.576 local terms energy: -817.561836 where: bonds (distance) C4'-P energy: -153.676 bonds (distance) P-C4' energy: -154.729 flat angles C4'-P-C4' energy: -172.087 flat angles P-C4'-P energy: -115.368 tors. eta vs tors. theta energy: -221.702 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: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2781.480705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.480705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.480705 (E_RNA) where: Base-Base interactions energy: -1961.106 where: short stacking energy: -814.465 Base-Backbone interact. energy: -0.812 local terms energy: -819.563204 where: bonds (distance) C4'-P energy: -155.824 bonds (distance) P-C4' energy: -155.906 flat angles C4'-P-C4' energy: -167.706 flat angles P-C4'-P energy: -106.449 tors. eta vs tors. theta energy: -233.677 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: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2645.833574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.833574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.833574 (E_RNA) where: Base-Base interactions energy: -1877.038 where: short stacking energy: -767.924 Base-Backbone interact. energy: -4.153 local terms energy: -764.642607 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -139.828 flat angles C4'-P-C4' energy: -167.790 flat angles P-C4'-P energy: -106.607 tors. eta vs tors. theta energy: -198.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2585.527908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.527908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.527908 (E_RNA) where: Base-Base interactions energy: -1830.844 where: short stacking energy: -753.043 Base-Backbone interact. energy: -0.678 local terms energy: -754.005566 where: bonds (distance) C4'-P energy: -140.475 bonds (distance) P-C4' energy: -152.125 flat angles C4'-P-C4' energy: -155.068 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -193.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2394.849415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.849415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.849415 (E_RNA) where: Base-Base interactions energy: -1694.593 where: short stacking energy: -731.396 Base-Backbone interact. energy: -2.930 local terms energy: -697.326532 where: bonds (distance) C4'-P energy: -132.671 bonds (distance) P-C4' energy: -130.157 flat angles C4'-P-C4' energy: -149.657 flat angles P-C4'-P energy: -92.606 tors. eta vs tors. theta energy: -192.236 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: 7 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2148.141973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.141973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.141973 (E_RNA) where: Base-Base interactions energy: -1482.056 where: short stacking energy: -637.122 Base-Backbone interact. energy: -0.455 local terms energy: -665.631537 where: bonds (distance) C4'-P energy: -152.332 bonds (distance) P-C4' energy: -122.489 flat angles C4'-P-C4' energy: -151.760 flat angles P-C4'-P energy: -81.344 tors. eta vs tors. theta energy: -157.707 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: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -2053.537725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.537725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.537725 (E_RNA) where: Base-Base interactions energy: -1433.108 where: short stacking energy: -641.210 Base-Backbone interact. energy: -4.464 local terms energy: -615.966171 where: bonds (distance) C4'-P energy: -116.614 bonds (distance) P-C4' energy: -129.985 flat angles C4'-P-C4' energy: -150.465 flat angles P-C4'-P energy: -79.189 tors. eta vs tors. theta energy: -139.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1797.416382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.416382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.416382 (E_RNA) where: Base-Base interactions energy: -1204.717 where: short stacking energy: -534.800 Base-Backbone interact. energy: -1.206 local terms energy: -591.493703 where: bonds (distance) C4'-P energy: -132.190 bonds (distance) P-C4' energy: -126.477 flat angles C4'-P-C4' energy: -148.156 flat angles P-C4'-P energy: -87.979 tors. eta vs tors. theta energy: -96.692 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: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1483.443259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.443259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.443259 (E_RNA) where: Base-Base interactions energy: -987.580 where: short stacking energy: -451.848 Base-Backbone interact. energy: -2.183 local terms energy: -493.679581 where: bonds (distance) C4'-P energy: -113.519 bonds (distance) P-C4' energy: -126.846 flat angles C4'-P-C4' energy: -111.259 flat angles P-C4'-P energy: -65.516 tors. eta vs tors. theta energy: -76.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3023.447387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.447387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.447387 (E_RNA) where: Base-Base interactions energy: -2153.947 where: short stacking energy: -881.765 Base-Backbone interact. energy: -6.961 local terms energy: -862.539607 where: bonds (distance) C4'-P energy: -150.684 bonds (distance) P-C4' energy: -157.965 flat angles C4'-P-C4' energy: -174.531 flat angles P-C4'-P energy: -131.388 tors. eta vs tors. theta energy: -247.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2861.164708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.164708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.164708 (E_RNA) where: Base-Base interactions energy: -2058.692 where: short stacking energy: -867.606 Base-Backbone interact. energy: -3.053 local terms energy: -799.419736 where: bonds (distance) C4'-P energy: -154.046 bonds (distance) P-C4' energy: -150.355 flat angles C4'-P-C4' energy: -186.281 flat angles P-C4'-P energy: -97.048 tors. eta vs tors. theta energy: -211.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2794.082638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.082638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.082638 (E_RNA) where: Base-Base interactions energy: -1979.034 where: short stacking energy: -835.505 Base-Backbone interact. energy: -1.975 local terms energy: -813.073474 where: bonds (distance) C4'-P energy: -155.040 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -174.523 flat angles P-C4'-P energy: -115.280 tors. eta vs tors. theta energy: -226.050 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: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2682.419281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.419281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.419281 (E_RNA) where: Base-Base interactions energy: -1893.060 where: short stacking energy: -800.257 Base-Backbone interact. energy: 0.647 local terms energy: -790.005683 where: bonds (distance) C4'-P energy: -131.730 bonds (distance) P-C4' energy: -150.671 flat angles C4'-P-C4' energy: -174.561 flat angles P-C4'-P energy: -126.915 tors. eta vs tors. theta energy: -206.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2615.882311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.882311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.882311 (E_RNA) where: Base-Base interactions energy: -1858.941 where: short stacking energy: -757.296 Base-Backbone interact. energy: -3.852 local terms energy: -753.088964 where: bonds (distance) C4'-P energy: -146.987 bonds (distance) P-C4' energy: -154.914 flat angles C4'-P-C4' energy: -152.425 flat angles P-C4'-P energy: -105.755 tors. eta vs tors. theta energy: -193.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2374.359113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.359113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.359113 (E_RNA) where: Base-Base interactions energy: -1679.714 where: short stacking energy: -717.758 Base-Backbone interact. energy: -4.766 local terms energy: -689.879468 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -138.073 flat angles C4'-P-C4' energy: -147.643 flat angles P-C4'-P energy: -99.169 tors. eta vs tors. theta energy: -174.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2173.972548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.972548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.972548 (E_RNA) where: Base-Base interactions energy: -1502.885 where: short stacking energy: -677.056 Base-Backbone interact. energy: 4.265 local terms energy: -675.352415 where: bonds (distance) C4'-P energy: -140.588 bonds (distance) P-C4' energy: -125.275 flat angles C4'-P-C4' energy: -162.406 flat angles P-C4'-P energy: -92.199 tors. eta vs tors. theta energy: -154.885 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: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -2005.186527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.186527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.186527 (E_RNA) where: Base-Base interactions energy: -1368.316 where: short stacking energy: -584.754 Base-Backbone interact. energy: -1.147 local terms energy: -635.723183 where: bonds (distance) C4'-P energy: -140.797 bonds (distance) P-C4' energy: -115.320 flat angles C4'-P-C4' energy: -134.299 flat angles P-C4'-P energy: -99.891 tors. eta vs tors. theta energy: -145.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1777.302473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.302473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.302473 (E_RNA) where: Base-Base interactions energy: -1204.525 where: short stacking energy: -580.713 Base-Backbone interact. energy: -2.964 local terms energy: -569.813396 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -103.179 flat angles C4'-P-C4' energy: -140.906 flat angles P-C4'-P energy: -68.863 tors. eta vs tors. theta energy: -140.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1516.418812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.418812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.418812 (E_RNA) where: Base-Base interactions energy: -1041.435 where: short stacking energy: -476.994 Base-Backbone interact. energy: 0.723 local terms energy: -475.707197 where: bonds (distance) C4'-P energy: -109.779 bonds (distance) P-C4' energy: -119.198 flat angles C4'-P-C4' energy: -106.516 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -60.764 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: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3024.137425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.137425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.137425 (E_RNA) where: Base-Base interactions energy: -2161.268 where: short stacking energy: -891.216 Base-Backbone interact. energy: -4.116 local terms energy: -858.753794 where: bonds (distance) C4'-P energy: -161.941 bonds (distance) P-C4' energy: -153.198 flat angles C4'-P-C4' energy: -184.127 flat angles P-C4'-P energy: -116.603 tors. eta vs tors. theta energy: -242.885 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: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2873.978332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.978332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.978332 (E_RNA) where: Base-Base interactions energy: -2063.291 where: short stacking energy: -864.516 Base-Backbone interact. energy: -1.162 local terms energy: -809.525085 where: bonds (distance) C4'-P energy: -150.429 bonds (distance) P-C4' energy: -162.074 flat angles C4'-P-C4' energy: -170.392 flat angles P-C4'-P energy: -109.777 tors. eta vs tors. theta energy: -216.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2850.269464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.269464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.269464 (E_RNA) where: Base-Base interactions energy: -2020.015 where: short stacking energy: -861.451 Base-Backbone interact. energy: -5.275 local terms energy: -824.979585 where: bonds (distance) C4'-P energy: -147.398 bonds (distance) P-C4' energy: -165.562 flat angles C4'-P-C4' energy: -168.750 flat angles P-C4'-P energy: -107.188 tors. eta vs tors. theta energy: -236.081 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: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2687.330345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.330345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.330345 (E_RNA) where: Base-Base interactions energy: -1888.433 where: short stacking energy: -811.156 Base-Backbone interact. energy: -6.679 local terms energy: -792.217778 where: bonds (distance) C4'-P energy: -164.348 bonds (distance) P-C4' energy: -149.908 flat angles C4'-P-C4' energy: -144.190 flat angles P-C4'-P energy: -122.118 tors. eta vs tors. theta energy: -211.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2541.953585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.953585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.953585 (E_RNA) where: Base-Base interactions energy: -1802.657 where: short stacking energy: -757.442 Base-Backbone interact. energy: -5.664 local terms energy: -733.632612 where: bonds (distance) C4'-P energy: -143.847 bonds (distance) P-C4' energy: -142.931 flat angles C4'-P-C4' energy: -146.512 flat angles P-C4'-P energy: -111.580 tors. eta vs tors. theta energy: -188.764 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: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2336.672640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.672640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.672640 (E_RNA) where: Base-Base interactions energy: -1633.319 where: short stacking energy: -675.251 Base-Backbone interact. energy: -5.239 local terms energy: -698.115468 where: bonds (distance) C4'-P energy: -125.690 bonds (distance) P-C4' energy: -131.083 flat angles C4'-P-C4' energy: -176.157 flat angles P-C4'-P energy: -95.686 tors. eta vs tors. theta energy: -169.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2182.366682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.366682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.366682 (E_RNA) where: Base-Base interactions energy: -1526.154 where: short stacking energy: -656.617 Base-Backbone interact. energy: 1.397 local terms energy: -657.609545 where: bonds (distance) C4'-P energy: -119.365 bonds (distance) P-C4' energy: -146.892 flat angles C4'-P-C4' energy: -157.976 flat angles P-C4'-P energy: -70.929 tors. eta vs tors. theta energy: -162.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -2103.421817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.421817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.421817 (E_RNA) where: Base-Base interactions energy: -1429.118 where: short stacking energy: -609.681 Base-Backbone interact. energy: -1.713 local terms energy: -672.590779 where: bonds (distance) C4'-P energy: -117.726 bonds (distance) P-C4' energy: -154.078 flat angles C4'-P-C4' energy: -144.838 flat angles P-C4'-P energy: -95.849 tors. eta vs tors. theta energy: -160.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1616.181938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.181938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.181938 (E_RNA) where: Base-Base interactions energy: -1065.336 where: short stacking energy: -441.150 Base-Backbone interact. energy: -0.673 local terms energy: -550.172406 where: bonds (distance) C4'-P energy: -124.254 bonds (distance) P-C4' energy: -147.445 flat angles C4'-P-C4' energy: -131.791 flat angles P-C4'-P energy: -75.405 tors. eta vs tors. theta energy: -71.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1679.084424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.084424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.084424 (E_RNA) where: Base-Base interactions energy: -1125.374 where: short stacking energy: -478.524 Base-Backbone interact. energy: -3.572 local terms energy: -550.138668 where: bonds (distance) C4'-P energy: -117.902 bonds (distance) P-C4' energy: -140.555 flat angles C4'-P-C4' energy: -113.067 flat angles P-C4'-P energy: -86.562 tors. eta vs tors. theta energy: -92.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3015.935373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.935373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.935373 (E_RNA) where: Base-Base interactions energy: -2164.153 where: short stacking energy: -887.127 Base-Backbone interact. energy: -0.543 local terms energy: -851.239311 where: bonds (distance) C4'-P energy: -153.965 bonds (distance) P-C4' energy: -164.484 flat angles C4'-P-C4' energy: -182.823 flat angles P-C4'-P energy: -121.651 tors. eta vs tors. theta energy: -228.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2869.746528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.746528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.746528 (E_RNA) where: Base-Base interactions energy: -2034.142 where: short stacking energy: -869.549 Base-Backbone interact. energy: -4.846 local terms energy: -830.757863 where: bonds (distance) C4'-P energy: -141.857 bonds (distance) P-C4' energy: -168.274 flat angles C4'-P-C4' energy: -178.620 flat angles P-C4'-P energy: -115.158 tors. eta vs tors. theta energy: -226.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2825.588452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.588452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.588452 (E_RNA) where: Base-Base interactions energy: -2038.655 where: short stacking energy: -840.569 Base-Backbone interact. energy: 0.766 local terms energy: -787.699451 where: bonds (distance) C4'-P energy: -135.817 bonds (distance) P-C4' energy: -156.838 flat angles C4'-P-C4' energy: -167.965 flat angles P-C4'-P energy: -110.789 tors. eta vs tors. theta energy: -216.291 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: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2653.046474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.046474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.046474 (E_RNA) where: Base-Base interactions energy: -1887.108 where: short stacking energy: -765.039 Base-Backbone interact. energy: 0.531 local terms energy: -766.469381 where: bonds (distance) C4'-P energy: -143.631 bonds (distance) P-C4' energy: -145.104 flat angles C4'-P-C4' energy: -161.178 flat angles P-C4'-P energy: -112.919 tors. eta vs tors. theta energy: -203.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2557.173577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.173577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.173577 (E_RNA) where: Base-Base interactions energy: -1806.626 where: short stacking energy: -742.056 Base-Backbone interact. energy: -0.776 local terms energy: -749.771398 where: bonds (distance) C4'-P energy: -145.129 bonds (distance) P-C4' energy: -136.865 flat angles C4'-P-C4' energy: -169.110 flat angles P-C4'-P energy: -94.968 tors. eta vs tors. theta energy: -203.700 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: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2389.903240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.903240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.903240 (E_RNA) where: Base-Base interactions energy: -1701.136 where: short stacking energy: -726.917 Base-Backbone interact. energy: -2.285 local terms energy: -686.482762 where: bonds (distance) C4'-P energy: -124.547 bonds (distance) P-C4' energy: -136.534 flat angles C4'-P-C4' energy: -152.602 flat angles P-C4'-P energy: -89.854 tors. eta vs tors. theta energy: -182.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2138.127497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.127497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.127497 (E_RNA) where: Base-Base interactions energy: -1493.701 where: short stacking energy: -659.485 Base-Backbone interact. energy: -2.262 local terms energy: -642.164966 where: bonds (distance) C4'-P energy: -131.878 bonds (distance) P-C4' energy: -129.069 flat angles C4'-P-C4' energy: -154.353 flat angles P-C4'-P energy: -77.473 tors. eta vs tors. theta energy: -149.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -2119.881959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.881959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.881959 (E_RNA) where: Base-Base interactions energy: -1471.350 where: short stacking energy: -648.108 Base-Backbone interact. energy: -0.580 local terms energy: -647.951899 where: bonds (distance) C4'-P energy: -124.098 bonds (distance) P-C4' energy: -142.243 flat angles C4'-P-C4' energy: -145.031 flat angles P-C4'-P energy: -84.779 tors. eta vs tors. theta energy: -151.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1641.809630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.809630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.809630 (E_RNA) where: Base-Base interactions energy: -1040.240 where: short stacking energy: -464.448 Base-Backbone interact. energy: -4.854 local terms energy: -596.715767 where: bonds (distance) C4'-P energy: -119.799 bonds (distance) P-C4' energy: -140.883 flat angles C4'-P-C4' energy: -146.278 flat angles P-C4'-P energy: -95.532 tors. eta vs tors. theta energy: -94.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1594.372893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.372893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.372893 (E_RNA) where: Base-Base interactions energy: -1074.800 where: short stacking energy: -497.416 Base-Backbone interact. energy: -0.953 local terms energy: -518.619438 where: bonds (distance) C4'-P energy: -93.376 bonds (distance) P-C4' energy: -128.263 flat angles C4'-P-C4' energy: -114.748 flat angles P-C4'-P energy: -89.462 tors. eta vs tors. theta energy: -92.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3017.453806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.453806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.453806 (E_RNA) where: Base-Base interactions energy: -2156.833 where: short stacking energy: -902.302 Base-Backbone interact. energy: -4.324 local terms energy: -856.297297 where: bonds (distance) C4'-P energy: -157.573 bonds (distance) P-C4' energy: -166.451 flat angles C4'-P-C4' energy: -172.974 flat angles P-C4'-P energy: -121.955 tors. eta vs tors. theta energy: -237.344 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: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2847.110930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.110930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.110930 (E_RNA) where: Base-Base interactions energy: -2022.894 where: short stacking energy: -854.741 Base-Backbone interact. energy: -5.591 local terms energy: -818.626213 where: bonds (distance) C4'-P energy: -146.024 bonds (distance) P-C4' energy: -141.635 flat angles C4'-P-C4' energy: -182.180 flat angles P-C4'-P energy: -113.803 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: 3, replica: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2807.267652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.267652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.267652 (E_RNA) where: Base-Base interactions energy: -1986.087 where: short stacking energy: -831.770 Base-Backbone interact. energy: -2.438 local terms energy: -818.742205 where: bonds (distance) C4'-P energy: -153.296 bonds (distance) P-C4' energy: -165.356 flat angles C4'-P-C4' energy: -165.452 flat angles P-C4'-P energy: -111.656 tors. eta vs tors. theta energy: -222.982 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: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2665.696628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.696628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.696628 (E_RNA) where: Base-Base interactions energy: -1900.045 where: short stacking energy: -791.298 Base-Backbone interact. energy: -1.687 local terms energy: -763.965616 where: bonds (distance) C4'-P energy: -150.741 bonds (distance) P-C4' energy: -131.666 flat angles C4'-P-C4' energy: -167.736 flat angles P-C4'-P energy: -111.662 tors. eta vs tors. theta energy: -202.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2530.335311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.335311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.335311 (E_RNA) where: Base-Base interactions energy: -1758.138 where: short stacking energy: -744.574 Base-Backbone interact. energy: 1.529 local terms energy: -773.725817 where: bonds (distance) C4'-P energy: -144.424 bonds (distance) P-C4' energy: -133.858 flat angles C4'-P-C4' energy: -175.339 flat angles P-C4'-P energy: -122.710 tors. eta vs tors. theta energy: -197.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2451.446046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.446046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.446046 (E_RNA) where: Base-Base interactions energy: -1746.052 where: short stacking energy: -733.196 Base-Backbone interact. energy: 4.538 local terms energy: -709.931659 where: bonds (distance) C4'-P energy: -135.259 bonds (distance) P-C4' energy: -139.869 flat angles C4'-P-C4' energy: -157.777 flat angles P-C4'-P energy: -90.760 tors. eta vs tors. theta energy: -186.267 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: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2110.479712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.479712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.479712 (E_RNA) where: Base-Base interactions energy: -1475.772 where: short stacking energy: -609.924 Base-Backbone interact. energy: 1.062 local terms energy: -635.769385 where: bonds (distance) C4'-P energy: -127.033 bonds (distance) P-C4' energy: -145.174 flat angles C4'-P-C4' energy: -131.216 flat angles P-C4'-P energy: -85.420 tors. eta vs tors. theta energy: -146.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -2101.964889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.964889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.964889 (E_RNA) where: Base-Base interactions energy: -1450.022 where: short stacking energy: -669.373 Base-Backbone interact. energy: -0.574 local terms energy: -651.368507 where: bonds (distance) C4'-P energy: -124.979 bonds (distance) P-C4' energy: -116.541 flat angles C4'-P-C4' energy: -161.036 flat angles P-C4'-P energy: -111.419 tors. eta vs tors. theta energy: -137.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1648.751137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.751137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.751137 (E_RNA) where: Base-Base interactions energy: -1095.371 where: short stacking energy: -504.450 Base-Backbone interact. energy: -0.284 local terms energy: -553.096112 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -117.196 flat angles C4'-P-C4' energy: -128.802 flat angles P-C4'-P energy: -86.229 tors. eta vs tors. theta energy: -114.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1539.537146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.537146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.537146 (E_RNA) where: Base-Base interactions energy: -1046.843 where: short stacking energy: -456.690 Base-Backbone interact. energy: 6.618 local terms energy: -499.312233 where: bonds (distance) C4'-P energy: -107.734 bonds (distance) P-C4' energy: -135.275 flat angles C4'-P-C4' energy: -112.486 flat angles P-C4'-P energy: -69.792 tors. eta vs tors. theta energy: -74.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3013.273710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.273710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.273710 (E_RNA) where: Base-Base interactions energy: -2124.465 where: short stacking energy: -904.715 Base-Backbone interact. energy: -6.645 local terms energy: -882.164319 where: bonds (distance) C4'-P energy: -162.361 bonds (distance) P-C4' energy: -164.596 flat angles C4'-P-C4' energy: -190.689 flat angles P-C4'-P energy: -125.531 tors. eta vs tors. theta energy: -238.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2852.383507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.383507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.383507 (E_RNA) where: Base-Base interactions energy: -2027.147 where: short stacking energy: -856.581 Base-Backbone interact. energy: -2.406 local terms energy: -822.829976 where: bonds (distance) C4'-P energy: -161.268 bonds (distance) P-C4' energy: -166.073 flat angles C4'-P-C4' energy: -172.103 flat angles P-C4'-P energy: -104.924 tors. eta vs tors. theta energy: -218.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2795.819705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.819705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.819705 (E_RNA) where: Base-Base interactions energy: -1972.870 where: short stacking energy: -848.362 Base-Backbone interact. energy: -1.794 local terms energy: -821.156077 where: bonds (distance) C4'-P energy: -153.052 bonds (distance) P-C4' energy: -145.933 flat angles C4'-P-C4' energy: -170.400 flat angles P-C4'-P energy: -125.366 tors. eta vs tors. theta energy: -226.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2729.415188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.415188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.415188 (E_RNA) where: Base-Base interactions energy: -1957.416 where: short stacking energy: -803.644 Base-Backbone interact. energy: 5.182 local terms energy: -777.181560 where: bonds (distance) C4'-P energy: -154.903 bonds (distance) P-C4' energy: -147.023 flat angles C4'-P-C4' energy: -162.809 flat angles P-C4'-P energy: -113.272 tors. eta vs tors. theta energy: -199.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2550.082164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.082164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.082164 (E_RNA) where: Base-Base interactions energy: -1781.933 where: short stacking energy: -755.223 Base-Backbone interact. energy: -1.730 local terms energy: -766.419080 where: bonds (distance) C4'-P energy: -136.355 bonds (distance) P-C4' energy: -161.850 flat angles C4'-P-C4' energy: -165.670 flat angles P-C4'-P energy: -105.276 tors. eta vs tors. theta energy: -197.268 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: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2413.174502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.174502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.174502 (E_RNA) where: Base-Base interactions energy: -1730.475 where: short stacking energy: -732.069 Base-Backbone interact. energy: -2.488 local terms energy: -680.212097 where: bonds (distance) C4'-P energy: -125.724 bonds (distance) P-C4' energy: -128.474 flat angles C4'-P-C4' energy: -143.018 flat angles P-C4'-P energy: -105.085 tors. eta vs tors. theta energy: -177.911 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: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2213.557624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.557624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.557624 (E_RNA) where: Base-Base interactions energy: -1551.844 where: short stacking energy: -646.166 Base-Backbone interact. energy: -0.468 local terms energy: -661.245790 where: bonds (distance) C4'-P energy: -125.851 bonds (distance) P-C4' energy: -130.693 flat angles C4'-P-C4' energy: -151.162 flat angles P-C4'-P energy: -104.632 tors. eta vs tors. theta energy: -148.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -2104.455013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.455013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.455013 (E_RNA) where: Base-Base interactions energy: -1507.794 where: short stacking energy: -659.927 Base-Backbone interact. energy: -2.342 local terms energy: -594.318363 where: bonds (distance) C4'-P energy: -97.051 bonds (distance) P-C4' energy: -136.059 flat angles C4'-P-C4' energy: -137.788 flat angles P-C4'-P energy: -81.220 tors. eta vs tors. theta energy: -142.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1673.421929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.421929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.421929 (E_RNA) where: Base-Base interactions energy: -1107.796 where: short stacking energy: -484.323 Base-Backbone interact. energy: -0.348 local terms energy: -565.278773 where: bonds (distance) C4'-P energy: -114.399 bonds (distance) P-C4' energy: -127.751 flat angles C4'-P-C4' energy: -122.654 flat angles P-C4'-P energy: -97.755 tors. eta vs tors. theta energy: -102.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1588.432312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.432312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.432312 (E_RNA) where: Base-Base interactions energy: -1061.641 where: short stacking energy: -477.564 Base-Backbone interact. energy: 4.947 local terms energy: -531.737803 where: bonds (distance) C4'-P energy: -122.649 bonds (distance) P-C4' energy: -119.438 flat angles C4'-P-C4' energy: -127.547 flat angles P-C4'-P energy: -77.562 tors. eta vs tors. theta energy: -84.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3009.678226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.678226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.678226 (E_RNA) where: Base-Base interactions energy: -2155.370 where: short stacking energy: -892.914 Base-Backbone interact. energy: -4.817 local terms energy: -849.490972 where: bonds (distance) C4'-P energy: -147.572 bonds (distance) P-C4' energy: -154.312 flat angles C4'-P-C4' energy: -183.277 flat angles P-C4'-P energy: -123.881 tors. eta vs tors. theta energy: -240.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2883.804963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.804963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.804963 (E_RNA) where: Base-Base interactions energy: -2023.036 where: short stacking energy: -878.725 Base-Backbone interact. energy: -1.359 local terms energy: -859.410313 where: bonds (distance) C4'-P energy: -156.857 bonds (distance) P-C4' energy: -172.281 flat angles C4'-P-C4' energy: -179.181 flat angles P-C4'-P energy: -118.665 tors. eta vs tors. theta energy: -232.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2840.164097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.164097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.164097 (E_RNA) where: Base-Base interactions energy: -2032.553 where: short stacking energy: -848.116 Base-Backbone interact. energy: 1.349 local terms energy: -808.960624 where: bonds (distance) C4'-P energy: -144.581 bonds (distance) P-C4' energy: -147.825 flat angles C4'-P-C4' energy: -186.378 flat angles P-C4'-P energy: -119.661 tors. eta vs tors. theta energy: -210.516 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: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2680.788051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.788051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.788051 (E_RNA) where: Base-Base interactions energy: -1900.490 where: short stacking energy: -794.512 Base-Backbone interact. energy: -4.154 local terms energy: -776.144558 where: bonds (distance) C4'-P energy: -155.210 bonds (distance) P-C4' energy: -149.152 flat angles C4'-P-C4' energy: -149.119 flat angles P-C4'-P energy: -111.195 tors. eta vs tors. theta energy: -211.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2507.137674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.137674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.137674 (E_RNA) where: Base-Base interactions energy: -1760.172 where: short stacking energy: -736.823 Base-Backbone interact. energy: 3.891 local terms energy: -750.856061 where: bonds (distance) C4'-P energy: -138.528 bonds (distance) P-C4' energy: -151.055 flat angles C4'-P-C4' energy: -160.067 flat angles P-C4'-P energy: -113.822 tors. eta vs tors. theta energy: -187.384 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: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2458.396898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.396898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.396898 (E_RNA) where: Base-Base interactions energy: -1760.918 where: short stacking energy: -722.798 Base-Backbone interact. energy: 4.802 local terms energy: -702.280856 where: bonds (distance) C4'-P energy: -133.687 bonds (distance) P-C4' energy: -139.240 flat angles C4'-P-C4' energy: -146.300 flat angles P-C4'-P energy: -105.897 tors. eta vs tors. theta energy: -177.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2157.199741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.199741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.199741 (E_RNA) where: Base-Base interactions energy: -1537.961 where: short stacking energy: -664.057 Base-Backbone interact. energy: 2.820 local terms energy: -622.058647 where: bonds (distance) C4'-P energy: -88.102 bonds (distance) P-C4' energy: -128.173 flat angles C4'-P-C4' energy: -148.145 flat angles P-C4'-P energy: -106.924 tors. eta vs tors. theta energy: -150.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -2084.802080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.802080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.802080 (E_RNA) where: Base-Base interactions energy: -1419.841 where: short stacking energy: -612.004 Base-Backbone interact. energy: -3.876 local terms energy: -661.084445 where: bonds (distance) C4'-P energy: -138.896 bonds (distance) P-C4' energy: -132.129 flat angles C4'-P-C4' energy: -143.060 flat angles P-C4'-P energy: -94.934 tors. eta vs tors. theta energy: -152.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1675.097646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.097646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.097646 (E_RNA) where: Base-Base interactions energy: -1104.152 where: short stacking energy: -517.571 Base-Backbone interact. energy: 4.918 local terms energy: -575.863523 where: bonds (distance) C4'-P energy: -106.579 bonds (distance) P-C4' energy: -132.773 flat angles C4'-P-C4' energy: -131.978 flat angles P-C4'-P energy: -91.170 tors. eta vs tors. theta energy: -113.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1601.620730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.620730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.620730 (E_RNA) where: Base-Base interactions energy: -1053.067 where: short stacking energy: -496.889 Base-Backbone interact. energy: -2.168 local terms energy: -546.385902 where: bonds (distance) C4'-P energy: -110.883 bonds (distance) P-C4' energy: -134.253 flat angles C4'-P-C4' energy: -111.889 flat angles P-C4'-P energy: -87.926 tors. eta vs tors. theta energy: -101.435 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: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3018.232463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.232463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.232463 (E_RNA) where: Base-Base interactions energy: -2148.205 where: short stacking energy: -906.569 Base-Backbone interact. energy: -2.676 local terms energy: -867.351449 where: bonds (distance) C4'-P energy: -144.714 bonds (distance) P-C4' energy: -178.510 flat angles C4'-P-C4' energy: -177.031 flat angles P-C4'-P energy: -117.725 tors. eta vs tors. theta energy: -249.372 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: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2856.163006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.163006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.163006 (E_RNA) where: Base-Base interactions energy: -2000.987 where: short stacking energy: -864.406 Base-Backbone interact. energy: -3.364 local terms energy: -851.811585 where: bonds (distance) C4'-P energy: -153.620 bonds (distance) P-C4' energy: -165.759 flat angles C4'-P-C4' energy: -181.061 flat angles P-C4'-P energy: -131.233 tors. eta vs tors. theta energy: -220.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2802.666912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.666912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.666912 (E_RNA) where: Base-Base interactions energy: -1966.764 where: short stacking energy: -858.669 Base-Backbone interact. energy: -5.279 local terms energy: -830.624103 where: bonds (distance) C4'-P energy: -150.333 bonds (distance) P-C4' energy: -157.166 flat angles C4'-P-C4' energy: -184.899 flat angles P-C4'-P energy: -113.006 tors. eta vs tors. theta energy: -225.219 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: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2710.332480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.332480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.332480 (E_RNA) where: Base-Base interactions energy: -1939.273 where: short stacking energy: -805.624 Base-Backbone interact. energy: -4.006 local terms energy: -767.053321 where: bonds (distance) C4'-P energy: -148.765 bonds (distance) P-C4' energy: -140.327 flat angles C4'-P-C4' energy: -167.220 flat angles P-C4'-P energy: -106.099 tors. eta vs tors. theta energy: -204.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2499.260671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.260671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.260671 (E_RNA) where: Base-Base interactions energy: -1805.786 where: short stacking energy: -732.883 Base-Backbone interact. energy: 2.094 local terms energy: -695.568708 where: bonds (distance) C4'-P energy: -127.476 bonds (distance) P-C4' energy: -138.042 flat angles C4'-P-C4' energy: -153.344 flat angles P-C4'-P energy: -96.646 tors. eta vs tors. theta energy: -180.061 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: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2476.760745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.760745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.760745 (E_RNA) where: Base-Base interactions energy: -1776.497 where: short stacking energy: -720.652 Base-Backbone interact. energy: -1.501 local terms energy: -698.762469 where: bonds (distance) C4'-P energy: -124.874 bonds (distance) P-C4' energy: -136.391 flat angles C4'-P-C4' energy: -165.210 flat angles P-C4'-P energy: -96.982 tors. eta vs tors. theta energy: -175.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2165.509438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.509438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.509438 (E_RNA) where: Base-Base interactions energy: -1486.127 where: short stacking energy: -617.277 Base-Backbone interact. energy: 3.099 local terms energy: -682.480969 where: bonds (distance) C4'-P energy: -147.280 bonds (distance) P-C4' energy: -125.356 flat angles C4'-P-C4' energy: -160.404 flat angles P-C4'-P energy: -101.769 tors. eta vs tors. theta energy: -147.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -2151.044481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.044481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.044481 (E_RNA) where: Base-Base interactions energy: -1547.293 where: short stacking energy: -639.070 Base-Backbone interact. energy: 2.008 local terms energy: -605.759343 where: bonds (distance) C4'-P energy: -102.778 bonds (distance) P-C4' energy: -127.227 flat angles C4'-P-C4' energy: -142.139 flat angles P-C4'-P energy: -74.644 tors. eta vs tors. theta energy: -158.971 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: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1708.067911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.067911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.067911 (E_RNA) where: Base-Base interactions energy: -1117.245 where: short stacking energy: -506.649 Base-Backbone interact. energy: -3.813 local terms energy: -587.010191 where: bonds (distance) C4'-P energy: -117.941 bonds (distance) P-C4' energy: -152.813 flat angles C4'-P-C4' energy: -129.733 flat angles P-C4'-P energy: -96.592 tors. eta vs tors. theta energy: -89.931 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: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1569.933286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.933286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.933286 (E_RNA) where: Base-Base interactions energy: -1034.447 where: short stacking energy: -458.393 Base-Backbone interact. energy: -7.273 local terms energy: -528.212873 where: bonds (distance) C4'-P energy: -99.700 bonds (distance) P-C4' energy: -132.908 flat angles C4'-P-C4' energy: -117.784 flat angles P-C4'-P energy: -96.867 tors. eta vs tors. theta energy: -80.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3020.969395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.969395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.969395 (E_RNA) where: Base-Base interactions energy: -2171.581 where: short stacking energy: -879.133 Base-Backbone interact. energy: -0.420 local terms energy: -848.968068 where: bonds (distance) C4'-P energy: -163.216 bonds (distance) P-C4' energy: -155.795 flat angles C4'-P-C4' energy: -172.904 flat angles P-C4'-P energy: -123.086 tors. eta vs tors. theta energy: -233.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2903.030502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.030502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.030502 (E_RNA) where: Base-Base interactions energy: -2049.175 where: short stacking energy: -895.156 Base-Backbone interact. energy: -0.537 local terms energy: -853.317793 where: bonds (distance) C4'-P energy: -159.586 bonds (distance) P-C4' energy: -160.601 flat angles C4'-P-C4' energy: -171.939 flat angles P-C4'-P energy: -111.511 tors. eta vs tors. theta energy: -249.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2844.006673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.006673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.006673 (E_RNA) where: Base-Base interactions energy: -2038.317 where: short stacking energy: -873.016 Base-Backbone interact. energy: -5.251 local terms energy: -800.438894 where: bonds (distance) C4'-P energy: -133.715 bonds (distance) P-C4' energy: -140.944 flat angles C4'-P-C4' energy: -175.146 flat angles P-C4'-P energy: -126.551 tors. eta vs tors. theta energy: -224.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2722.692648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.692648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.692648 (E_RNA) where: Base-Base interactions energy: -1944.954 where: short stacking energy: -789.341 Base-Backbone interact. energy: -0.636 local terms energy: -777.103222 where: bonds (distance) C4'-P energy: -147.480 bonds (distance) P-C4' energy: -145.340 flat angles C4'-P-C4' energy: -174.191 flat angles P-C4'-P energy: -107.851 tors. eta vs tors. theta energy: -202.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2538.491014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.491014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.491014 (E_RNA) where: Base-Base interactions energy: -1775.447 where: short stacking energy: -749.942 Base-Backbone interact. energy: -4.976 local terms energy: -758.067943 where: bonds (distance) C4'-P energy: -156.228 bonds (distance) P-C4' energy: -146.022 flat angles C4'-P-C4' energy: -155.258 flat angles P-C4'-P energy: -108.294 tors. eta vs tors. theta energy: -192.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2401.456471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.456471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.456471 (E_RNA) where: Base-Base interactions energy: -1710.442 where: short stacking energy: -712.441 Base-Backbone interact. energy: -1.135 local terms energy: -689.880110 where: bonds (distance) C4'-P energy: -134.640 bonds (distance) P-C4' energy: -134.826 flat angles C4'-P-C4' energy: -163.882 flat angles P-C4'-P energy: -91.120 tors. eta vs tors. theta energy: -165.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2238.790762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.790762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.790762 (E_RNA) where: Base-Base interactions energy: -1559.039 where: short stacking energy: -625.775 Base-Backbone interact. energy: -3.056 local terms energy: -676.695748 where: bonds (distance) C4'-P energy: -123.517 bonds (distance) P-C4' energy: -137.150 flat angles C4'-P-C4' energy: -159.582 flat angles P-C4'-P energy: -92.661 tors. eta vs tors. theta energy: -163.786 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: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -2066.315697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.315697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.315697 (E_RNA) where: Base-Base interactions energy: -1425.602 where: short stacking energy: -625.564 Base-Backbone interact. energy: 1.397 local terms energy: -642.109918 where: bonds (distance) C4'-P energy: -115.195 bonds (distance) P-C4' energy: -145.073 flat angles C4'-P-C4' energy: -130.584 flat angles P-C4'-P energy: -96.196 tors. eta vs tors. theta energy: -155.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1742.536570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.536570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.536570 (E_RNA) where: Base-Base interactions energy: -1170.956 where: short stacking energy: -545.065 Base-Backbone interact. energy: -0.074 local terms energy: -571.506080 where: bonds (distance) C4'-P energy: -105.587 bonds (distance) P-C4' energy: -143.780 flat angles C4'-P-C4' energy: -135.063 flat angles P-C4'-P energy: -90.379 tors. eta vs tors. theta energy: -96.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1571.454462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.454462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.454462 (E_RNA) where: Base-Base interactions energy: -1047.676 where: short stacking energy: -477.077 Base-Backbone interact. energy: 3.014 local terms energy: -526.792362 where: bonds (distance) C4'-P energy: -100.915 bonds (distance) P-C4' energy: -107.586 flat angles C4'-P-C4' energy: -128.556 flat angles P-C4'-P energy: -103.515 tors. eta vs tors. theta energy: -86.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3000.057348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.057348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.057348 (E_RNA) where: Base-Base interactions energy: -2151.208 where: short stacking energy: -895.424 Base-Backbone interact. energy: -4.046 local terms energy: -844.803459 where: bonds (distance) C4'-P energy: -152.107 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -188.088 flat angles P-C4'-P energy: -109.912 tors. eta vs tors. theta energy: -228.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2894.303890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.303890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.303890 (E_RNA) where: Base-Base interactions energy: -2043.659 where: short stacking energy: -856.362 Base-Backbone interact. energy: 0.130 local terms energy: -850.775578 where: bonds (distance) C4'-P energy: -148.375 bonds (distance) P-C4' energy: -157.105 flat angles C4'-P-C4' energy: -186.257 flat angles P-C4'-P energy: -123.094 tors. eta vs tors. theta energy: -235.945 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: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2806.731822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.731822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.731822 (E_RNA) where: Base-Base interactions energy: -2000.283 where: short stacking energy: -858.191 Base-Backbone interact. energy: -1.167 local terms energy: -805.281585 where: bonds (distance) C4'-P energy: -145.994 bonds (distance) P-C4' energy: -149.660 flat angles C4'-P-C4' energy: -173.908 flat angles P-C4'-P energy: -115.052 tors. eta vs tors. theta energy: -220.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2713.287417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.287417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.287417 (E_RNA) where: Base-Base interactions energy: -1937.815 where: short stacking energy: -794.142 Base-Backbone interact. energy: -4.870 local terms energy: -770.602456 where: bonds (distance) C4'-P energy: -157.411 bonds (distance) P-C4' energy: -139.182 flat angles C4'-P-C4' energy: -173.188 flat angles P-C4'-P energy: -98.192 tors. eta vs tors. theta energy: -202.629 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: 5, replica: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2558.854897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.854897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.854897 (E_RNA) where: Base-Base interactions energy: -1767.614 where: short stacking energy: -761.271 Base-Backbone interact. energy: -2.282 local terms energy: -788.958968 where: bonds (distance) C4'-P energy: -161.347 bonds (distance) P-C4' energy: -165.396 flat angles C4'-P-C4' energy: -170.873 flat angles P-C4'-P energy: -95.519 tors. eta vs tors. theta energy: -195.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2424.553433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.553433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.553433 (E_RNA) where: Base-Base interactions energy: -1706.946 where: short stacking energy: -693.831 Base-Backbone interact. energy: -0.902 local terms energy: -716.706175 where: bonds (distance) C4'-P energy: -131.747 bonds (distance) P-C4' energy: -142.570 flat angles C4'-P-C4' energy: -163.094 flat angles P-C4'-P energy: -111.360 tors. eta vs tors. theta energy: -167.935 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: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2241.373549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.373549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.373549 (E_RNA) where: Base-Base interactions energy: -1548.920 where: short stacking energy: -681.811 Base-Backbone interact. energy: -4.012 local terms energy: -688.441243 where: bonds (distance) C4'-P energy: -123.818 bonds (distance) P-C4' energy: -139.744 flat angles C4'-P-C4' energy: -155.807 flat angles P-C4'-P energy: -88.180 tors. eta vs tors. theta energy: -180.893 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: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -2113.244550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.244550 (E_RNA) where: Base-Base interactions energy: -1450.771 where: short stacking energy: -626.789 Base-Backbone interact. energy: 1.110 local terms energy: -663.583935 where: bonds (distance) C4'-P energy: -133.956 bonds (distance) P-C4' energy: -151.676 flat angles C4'-P-C4' energy: -141.002 flat angles P-C4'-P energy: -90.302 tors. eta vs tors. theta energy: -146.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1728.134127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.134127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.134127 (E_RNA) where: Base-Base interactions energy: -1144.472 where: short stacking energy: -538.309 Base-Backbone interact. energy: -2.223 local terms energy: -581.438852 where: bonds (distance) C4'-P energy: -120.525 bonds (distance) P-C4' energy: -133.446 flat angles C4'-P-C4' energy: -135.140 flat angles P-C4'-P energy: -81.658 tors. eta vs tors. theta energy: -110.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1651.480634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.480634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.480634 (E_RNA) where: Base-Base interactions energy: -1113.686 where: short stacking energy: -481.855 Base-Backbone interact. energy: -2.908 local terms energy: -534.886501 where: bonds (distance) C4'-P energy: -121.649 bonds (distance) P-C4' energy: -127.367 flat angles C4'-P-C4' energy: -126.091 flat angles P-C4'-P energy: -76.278 tors. eta vs tors. theta energy: -83.501 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: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2989.496508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.496508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.496508 (E_RNA) where: Base-Base interactions energy: -2120.589 where: short stacking energy: -881.031 Base-Backbone interact. energy: 0.086 local terms energy: -868.993779 where: bonds (distance) C4'-P energy: -172.755 bonds (distance) P-C4' energy: -174.869 flat angles C4'-P-C4' energy: -178.959 flat angles P-C4'-P energy: -112.696 tors. eta vs tors. theta energy: -229.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2938.640360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.640360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.640360 (E_RNA) where: Base-Base interactions energy: -2045.396 where: short stacking energy: -877.856 Base-Backbone interact. energy: -2.576 local terms energy: -890.667581 where: bonds (distance) C4'-P energy: -165.738 bonds (distance) P-C4' energy: -164.553 flat angles C4'-P-C4' energy: -191.107 flat angles P-C4'-P energy: -116.997 tors. eta vs tors. theta energy: -252.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2788.853639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.853639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.853639 (E_RNA) where: Base-Base interactions energy: -1989.548 where: short stacking energy: -830.304 Base-Backbone interact. energy: -4.289 local terms energy: -795.015812 where: bonds (distance) C4'-P energy: -149.507 bonds (distance) P-C4' energy: -148.711 flat angles C4'-P-C4' energy: -168.407 flat angles P-C4'-P energy: -112.403 tors. eta vs tors. theta energy: -215.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2718.218050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.218050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.218050 (E_RNA) where: Base-Base interactions energy: -1950.392 where: short stacking energy: -798.075 Base-Backbone interact. energy: 0.052 local terms energy: -767.877985 where: bonds (distance) C4'-P energy: -121.926 bonds (distance) P-C4' energy: -159.533 flat angles C4'-P-C4' energy: -161.621 flat angles P-C4'-P energy: -113.561 tors. eta vs tors. theta energy: -211.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2550.122749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.122749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.122749 (E_RNA) where: Base-Base interactions energy: -1805.345 where: short stacking energy: -768.310 Base-Backbone interact. energy: -0.313 local terms energy: -744.464796 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -141.532 flat angles C4'-P-C4' energy: -173.584 flat angles P-C4'-P energy: -95.753 tors. eta vs tors. theta energy: -198.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2488.641872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.641872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.641872 (E_RNA) where: Base-Base interactions energy: -1748.880 where: short stacking energy: -782.464 Base-Backbone interact. energy: -2.284 local terms energy: -737.477917 where: bonds (distance) C4'-P energy: -130.017 bonds (distance) P-C4' energy: -155.584 flat angles C4'-P-C4' energy: -149.146 flat angles P-C4'-P energy: -99.323 tors. eta vs tors. theta energy: -203.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2289.020070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.020070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.020070 (E_RNA) where: Base-Base interactions energy: -1584.691 where: short stacking energy: -707.376 Base-Backbone interact. energy: -2.629 local terms energy: -701.700269 where: bonds (distance) C4'-P energy: -142.926 bonds (distance) P-C4' energy: -118.220 flat angles C4'-P-C4' energy: -166.442 flat angles P-C4'-P energy: -86.420 tors. eta vs tors. theta energy: -187.693 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: 270 Temperature: 1.250000 Total energy: -2093.626413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.626413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.626413 (E_RNA) where: Base-Base interactions energy: -1449.975 where: short stacking energy: -623.797 Base-Backbone interact. energy: -1.210 local terms energy: -642.441611 where: bonds (distance) C4'-P energy: -123.701 bonds (distance) P-C4' energy: -125.667 flat angles C4'-P-C4' energy: -151.390 flat angles P-C4'-P energy: -94.275 tors. eta vs tors. theta energy: -147.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1738.401250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.401250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.401250 (E_RNA) where: Base-Base interactions energy: -1150.252 where: short stacking energy: -533.436 Base-Backbone interact. energy: 3.868 local terms energy: -592.017452 where: bonds (distance) C4'-P energy: -137.803 bonds (distance) P-C4' energy: -115.952 flat angles C4'-P-C4' energy: -143.935 flat angles P-C4'-P energy: -82.697 tors. eta vs tors. theta energy: -111.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1654.154010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.154010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.154010 (E_RNA) where: Base-Base interactions energy: -1112.632 where: short stacking energy: -495.078 Base-Backbone interact. energy: -2.183 local terms energy: -539.338066 where: bonds (distance) C4'-P energy: -114.056 bonds (distance) P-C4' energy: -127.086 flat angles C4'-P-C4' energy: -136.866 flat angles P-C4'-P energy: -86.517 tors. eta vs tors. theta energy: -74.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3035.648485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.648485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.648485 (E_RNA) where: Base-Base interactions energy: -2149.564 where: short stacking energy: -879.986 Base-Backbone interact. energy: -4.995 local terms energy: -881.089131 where: bonds (distance) C4'-P energy: -163.064 bonds (distance) P-C4' energy: -169.084 flat angles C4'-P-C4' energy: -186.160 flat angles P-C4'-P energy: -119.198 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: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2898.486284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.486284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.486284 (E_RNA) where: Base-Base interactions energy: -2037.995 where: short stacking energy: -865.161 Base-Backbone interact. energy: -4.847 local terms energy: -855.643919 where: bonds (distance) C4'-P energy: -147.211 bonds (distance) P-C4' energy: -163.203 flat angles C4'-P-C4' energy: -183.497 flat angles P-C4'-P energy: -121.005 tors. eta vs tors. theta energy: -240.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2825.868403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.868403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.868403 (E_RNA) where: Base-Base interactions energy: -2031.561 where: short stacking energy: -848.693 Base-Backbone interact. energy: -2.782 local terms energy: -791.524830 where: bonds (distance) C4'-P energy: -157.350 bonds (distance) P-C4' energy: -139.563 flat angles C4'-P-C4' energy: -164.511 flat angles P-C4'-P energy: -111.122 tors. eta vs tors. theta energy: -218.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2675.816919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.816919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.816919 (E_RNA) where: Base-Base interactions energy: -1924.391 where: short stacking energy: -788.478 Base-Backbone interact. energy: -5.246 local terms energy: -746.180436 where: bonds (distance) C4'-P energy: -115.807 bonds (distance) P-C4' energy: -153.759 flat angles C4'-P-C4' energy: -167.618 flat angles P-C4'-P energy: -108.526 tors. eta vs tors. theta energy: -200.471 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: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2555.733185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.733185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.733185 (E_RNA) where: Base-Base interactions energy: -1794.632 where: short stacking energy: -723.272 Base-Backbone interact. energy: -1.865 local terms energy: -759.235255 where: bonds (distance) C4'-P energy: -142.611 bonds (distance) P-C4' energy: -153.042 flat angles C4'-P-C4' energy: -169.177 flat angles P-C4'-P energy: -102.101 tors. eta vs tors. theta energy: -192.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2408.452635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.452635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.452635 (E_RNA) where: Base-Base interactions energy: -1696.016 where: short stacking energy: -695.969 Base-Backbone interact. energy: -0.865 local terms energy: -711.571647 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -147.444 flat angles C4'-P-C4' energy: -157.803 flat angles P-C4'-P energy: -103.060 tors. eta vs tors. theta energy: -168.309 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: 271 Temperature: 1.200000 Total energy: -2301.281218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.281218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.281218 (E_RNA) where: Base-Base interactions energy: -1640.388 where: short stacking energy: -695.390 Base-Backbone interact. energy: -3.557 local terms energy: -657.335595 where: bonds (distance) C4'-P energy: -96.890 bonds (distance) P-C4' energy: -137.697 flat angles C4'-P-C4' energy: -148.509 flat angles P-C4'-P energy: -93.314 tors. eta vs tors. theta energy: -180.925 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: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -2068.600962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.600962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.600962 (E_RNA) where: Base-Base interactions energy: -1451.750 where: short stacking energy: -601.110 Base-Backbone interact. energy: 2.331 local terms energy: -619.182670 where: bonds (distance) C4'-P energy: -122.961 bonds (distance) P-C4' energy: -130.629 flat angles C4'-P-C4' energy: -148.937 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: -147.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1796.904659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.904659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.904659 (E_RNA) where: Base-Base interactions energy: -1225.281 where: short stacking energy: -542.792 Base-Backbone interact. energy: 5.093 local terms energy: -576.716738 where: bonds (distance) C4'-P energy: -104.505 bonds (distance) P-C4' energy: -134.740 flat angles C4'-P-C4' energy: -137.257 flat angles P-C4'-P energy: -75.440 tors. eta vs tors. theta energy: -124.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1599.346565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.346565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.346565 (E_RNA) where: Base-Base interactions energy: -1038.205 where: short stacking energy: -475.946 Base-Backbone interact. energy: -0.037 local terms energy: -561.104894 where: bonds (distance) C4'-P energy: -134.617 bonds (distance) P-C4' energy: -121.763 flat angles C4'-P-C4' energy: -129.589 flat angles P-C4'-P energy: -86.620 tors. eta vs tors. theta energy: -88.515 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: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3005.687574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.687574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.687574 (E_RNA) where: Base-Base interactions energy: -2139.840 where: short stacking energy: -902.620 Base-Backbone interact. energy: -3.483 local terms energy: -862.364110 where: bonds (distance) C4'-P energy: -164.635 bonds (distance) P-C4' energy: -150.372 flat angles C4'-P-C4' energy: -194.020 flat angles P-C4'-P energy: -116.814 tors. eta vs tors. theta energy: -236.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2917.981514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.981514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.981514 (E_RNA) where: Base-Base interactions energy: -2054.330 where: short stacking energy: -891.402 Base-Backbone interact. energy: -4.157 local terms energy: -859.494653 where: bonds (distance) C4'-P energy: -147.284 bonds (distance) P-C4' energy: -147.114 flat angles C4'-P-C4' energy: -190.834 flat angles P-C4'-P energy: -129.630 tors. eta vs tors. theta energy: -244.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2822.281937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.281937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.281937 (E_RNA) where: Base-Base interactions energy: -2004.461 where: short stacking energy: -854.819 Base-Backbone interact. energy: -3.607 local terms energy: -814.213912 where: bonds (distance) C4'-P energy: -149.191 bonds (distance) P-C4' energy: -144.588 flat angles C4'-P-C4' energy: -184.204 flat angles P-C4'-P energy: -106.451 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: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2692.960818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.960818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.960818 (E_RNA) where: Base-Base interactions energy: -1932.302 where: short stacking energy: -813.007 Base-Backbone interact. energy: -3.107 local terms energy: -757.551820 where: bonds (distance) C4'-P energy: -137.911 bonds (distance) P-C4' energy: -135.255 flat angles C4'-P-C4' energy: -171.744 flat angles P-C4'-P energy: -100.245 tors. eta vs tors. theta energy: -212.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2572.788007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.788007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.788007 (E_RNA) where: Base-Base interactions energy: -1868.390 where: short stacking energy: -758.865 Base-Backbone interact. energy: -0.310 local terms energy: -704.088453 where: bonds (distance) C4'-P energy: -134.189 bonds (distance) P-C4' energy: -135.500 flat angles C4'-P-C4' energy: -141.048 flat angles P-C4'-P energy: -97.638 tors. eta vs tors. theta energy: -195.714 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: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2385.994203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.994203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.994203 (E_RNA) where: Base-Base interactions energy: -1677.186 where: short stacking energy: -727.457 Base-Backbone interact. energy: 0.496 local terms energy: -709.304565 where: bonds (distance) C4'-P energy: -131.683 bonds (distance) P-C4' energy: -134.665 flat angles C4'-P-C4' energy: -157.559 flat angles P-C4'-P energy: -102.924 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: 7, replica: 7 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2325.580581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.580581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.580581 (E_RNA) where: Base-Base interactions energy: -1639.943 where: short stacking energy: -682.385 Base-Backbone interact. energy: -0.195 local terms energy: -685.442506 where: bonds (distance) C4'-P energy: -134.878 bonds (distance) P-C4' energy: -117.561 flat angles C4'-P-C4' energy: -162.513 flat angles P-C4'-P energy: -102.428 tors. eta vs tors. theta energy: -168.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -2081.847342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.847342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.847342 (E_RNA) where: Base-Base interactions energy: -1466.031 where: short stacking energy: -600.710 Base-Backbone interact. energy: 0.198 local terms energy: -616.014043 where: bonds (distance) C4'-P energy: -117.306 bonds (distance) P-C4' energy: -131.032 flat angles C4'-P-C4' energy: -132.717 flat angles P-C4'-P energy: -99.070 tors. eta vs tors. theta energy: -135.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1718.921753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.921753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.921753 (E_RNA) where: Base-Base interactions energy: -1129.600 where: short stacking energy: -498.442 Base-Backbone interact. energy: 0.392 local terms energy: -589.713631 where: bonds (distance) C4'-P energy: -133.783 bonds (distance) P-C4' energy: -124.113 flat angles C4'-P-C4' energy: -139.083 flat angles P-C4'-P energy: -98.992 tors. eta vs tors. theta energy: -93.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1571.023705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.023705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.023705 (E_RNA) where: Base-Base interactions energy: -1046.069 where: short stacking energy: -505.208 Base-Backbone interact. energy: 6.768 local terms energy: -531.723532 where: bonds (distance) C4'-P energy: -112.375 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -133.894 flat angles P-C4'-P energy: -73.310 tors. eta vs tors. theta energy: -84.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3012.506561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.506561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.506561 (E_RNA) where: Base-Base interactions energy: -2172.024 where: short stacking energy: -907.038 Base-Backbone interact. energy: -6.780 local terms energy: -833.702731 where: bonds (distance) C4'-P energy: -149.203 bonds (distance) P-C4' energy: -147.180 flat angles C4'-P-C4' energy: -180.783 flat angles P-C4'-P energy: -116.659 tors. eta vs tors. theta energy: -239.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2871.124266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.124266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.124266 (E_RNA) where: Base-Base interactions energy: -2026.642 where: short stacking energy: -835.551 Base-Backbone interact. energy: -0.803 local terms energy: -843.679383 where: bonds (distance) C4'-P energy: -142.413 bonds (distance) P-C4' energy: -168.174 flat angles C4'-P-C4' energy: -181.859 flat angles P-C4'-P energy: -114.294 tors. eta vs tors. theta energy: -236.941 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: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2842.014886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.014886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.014886 (E_RNA) where: Base-Base interactions energy: -2022.307 where: short stacking energy: -845.380 Base-Backbone interact. energy: 5.994 local terms energy: -825.701630 where: bonds (distance) C4'-P energy: -153.600 bonds (distance) P-C4' energy: -148.153 flat angles C4'-P-C4' energy: -177.155 flat angles P-C4'-P energy: -121.419 tors. eta vs tors. theta energy: -225.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2697.497818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.497818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.497818 (E_RNA) where: Base-Base interactions energy: -1920.013 where: short stacking energy: -788.163 Base-Backbone interact. energy: -3.198 local terms energy: -774.286154 where: bonds (distance) C4'-P energy: -141.621 bonds (distance) P-C4' energy: -144.778 flat angles C4'-P-C4' energy: -165.312 flat angles P-C4'-P energy: -120.968 tors. eta vs tors. theta energy: -201.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2577.655489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.655489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.655489 (E_RNA) where: Base-Base interactions energy: -1843.314 where: short stacking energy: -769.802 Base-Backbone interact. energy: -2.584 local terms energy: -731.757687 where: bonds (distance) C4'-P energy: -132.652 bonds (distance) P-C4' energy: -144.404 flat angles C4'-P-C4' energy: -155.832 flat angles P-C4'-P energy: -96.951 tors. eta vs tors. theta energy: -201.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2364.686391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.686391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.686391 (E_RNA) where: Base-Base interactions energy: -1653.056 where: short stacking energy: -690.180 Base-Backbone interact. energy: 4.991 local terms energy: -716.620726 where: bonds (distance) C4'-P energy: -122.495 bonds (distance) P-C4' energy: -150.529 flat angles C4'-P-C4' energy: -160.751 flat angles P-C4'-P energy: -108.813 tors. eta vs tors. theta energy: -174.033 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: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2299.368466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.368466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.368466 (E_RNA) where: Base-Base interactions energy: -1616.805 where: short stacking energy: -669.347 Base-Backbone interact. energy: -0.977 local terms energy: -681.586232 where: bonds (distance) C4'-P energy: -132.296 bonds (distance) P-C4' energy: -124.891 flat angles C4'-P-C4' energy: -152.058 flat angles P-C4'-P energy: -93.807 tors. eta vs tors. theta energy: -178.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -2102.922540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.922540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.922540 (E_RNA) where: Base-Base interactions energy: -1460.383 where: short stacking energy: -628.811 Base-Backbone interact. energy: -0.875 local terms energy: -641.664992 where: bonds (distance) C4'-P energy: -130.986 bonds (distance) P-C4' energy: -138.775 flat angles C4'-P-C4' energy: -127.644 flat angles P-C4'-P energy: -100.680 tors. eta vs tors. theta energy: -143.579 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: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1731.823905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.823905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.823905 (E_RNA) where: Base-Base interactions energy: -1192.230 where: short stacking energy: -542.060 Base-Backbone interact. energy: 5.323 local terms energy: -544.916599 where: bonds (distance) C4'-P energy: -104.325 bonds (distance) P-C4' energy: -92.304 flat angles C4'-P-C4' energy: -135.777 flat angles P-C4'-P energy: -95.712 tors. eta vs tors. theta energy: -116.797 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: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1575.439116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.439116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.439116 (E_RNA) where: Base-Base interactions energy: -1036.874 where: short stacking energy: -474.056 Base-Backbone interact. energy: 1.191 local terms energy: -539.755900 where: bonds (distance) C4'-P energy: -120.210 bonds (distance) P-C4' energy: -122.942 flat angles C4'-P-C4' energy: -135.526 flat angles P-C4'-P energy: -73.717 tors. eta vs tors. theta energy: -87.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2996.066168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.066168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.066168 (E_RNA) where: Base-Base interactions energy: -2138.134 where: short stacking energy: -879.107 Base-Backbone interact. energy: -7.404 local terms energy: -850.528627 where: bonds (distance) C4'-P energy: -161.162 bonds (distance) P-C4' energy: -148.991 flat angles C4'-P-C4' energy: -185.916 flat angles P-C4'-P energy: -125.013 tors. eta vs tors. theta energy: -229.446 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: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2887.971944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.971944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.971944 (E_RNA) where: Base-Base interactions energy: -2020.854 where: short stacking energy: -880.411 Base-Backbone interact. energy: -4.883 local terms energy: -862.235444 where: bonds (distance) C4'-P energy: -150.876 bonds (distance) P-C4' energy: -154.267 flat angles C4'-P-C4' energy: -188.481 flat angles P-C4'-P energy: -118.483 tors. eta vs tors. theta energy: -250.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2834.991762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.991762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.991762 (E_RNA) where: Base-Base interactions energy: -1996.754 where: short stacking energy: -824.299 Base-Backbone interact. energy: -2.460 local terms energy: -835.777306 where: bonds (distance) C4'-P energy: -161.033 bonds (distance) P-C4' energy: -156.508 flat angles C4'-P-C4' energy: -170.274 flat angles P-C4'-P energy: -128.677 tors. eta vs tors. theta energy: -219.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2716.485922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.485922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.485922 (E_RNA) where: Base-Base interactions energy: -1956.948 where: short stacking energy: -815.281 Base-Backbone interact. energy: 0.607 local terms energy: -760.144980 where: bonds (distance) C4'-P energy: -145.260 bonds (distance) P-C4' energy: -136.048 flat angles C4'-P-C4' energy: -161.098 flat angles P-C4'-P energy: -98.324 tors. eta vs tors. theta energy: -219.415 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: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2594.361823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.361823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.361823 (E_RNA) where: Base-Base interactions energy: -1852.662 where: short stacking energy: -744.193 Base-Backbone interact. energy: 3.816 local terms energy: -745.516116 where: bonds (distance) C4'-P energy: -112.497 bonds (distance) P-C4' energy: -146.967 flat angles C4'-P-C4' energy: -164.865 flat angles P-C4'-P energy: -121.190 tors. eta vs tors. theta energy: -199.996 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: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2396.450986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.450986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.450986 (E_RNA) where: Base-Base interactions energy: -1692.334 where: short stacking energy: -725.163 Base-Backbone interact. energy: -3.137 local terms energy: -700.979527 where: bonds (distance) C4'-P energy: -134.366 bonds (distance) P-C4' energy: -156.461 flat angles C4'-P-C4' energy: -147.381 flat angles P-C4'-P energy: -95.441 tors. eta vs tors. theta energy: -167.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2340.655492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.655492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.655492 (E_RNA) where: Base-Base interactions energy: -1647.349 where: short stacking energy: -697.442 Base-Backbone interact. energy: -1.257 local terms energy: -692.049863 where: bonds (distance) C4'-P energy: -100.546 bonds (distance) P-C4' energy: -144.167 flat angles C4'-P-C4' energy: -171.473 flat angles P-C4'-P energy: -101.342 tors. eta vs tors. theta energy: -174.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -2082.241086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.241086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.241086 (E_RNA) where: Base-Base interactions energy: -1460.596 where: short stacking energy: -616.270 Base-Backbone interact. energy: -2.437 local terms energy: -619.207943 where: bonds (distance) C4'-P energy: -120.538 bonds (distance) P-C4' energy: -106.884 flat angles C4'-P-C4' energy: -144.967 flat angles P-C4'-P energy: -100.481 tors. eta vs tors. theta energy: -146.338 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: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1743.106472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.106472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.106472 (E_RNA) where: Base-Base interactions energy: -1140.223 where: short stacking energy: -534.597 Base-Backbone interact. energy: -2.782 local terms energy: -600.101155 where: bonds (distance) C4'-P energy: -149.476 bonds (distance) P-C4' energy: -126.156 flat angles C4'-P-C4' energy: -135.965 flat angles P-C4'-P energy: -75.320 tors. eta vs tors. theta energy: -113.184 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: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1495.922761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.922761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.922761 (E_RNA) where: Base-Base interactions energy: -962.385 where: short stacking energy: -445.195 Base-Backbone interact. energy: 2.681 local terms energy: -536.218758 where: bonds (distance) C4'-P energy: -118.482 bonds (distance) P-C4' energy: -130.588 flat angles C4'-P-C4' energy: -120.256 flat angles P-C4'-P energy: -95.610 tors. eta vs tors. theta energy: -71.283 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: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3014.749468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.749468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.749468 (E_RNA) where: Base-Base interactions energy: -2120.830 where: short stacking energy: -903.458 Base-Backbone interact. energy: -4.592 local terms energy: -889.327029 where: bonds (distance) C4'-P energy: -155.303 bonds (distance) P-C4' energy: -171.634 flat angles C4'-P-C4' energy: -197.003 flat angles P-C4'-P energy: -130.132 tors. eta vs tors. theta energy: -235.255 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: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2856.819168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.819168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.819168 (E_RNA) where: Base-Base interactions energy: -2027.501 where: short stacking energy: -877.775 Base-Backbone interact. energy: -5.179 local terms energy: -824.139824 where: bonds (distance) C4'-P energy: -131.897 bonds (distance) P-C4' energy: -159.926 flat angles C4'-P-C4' energy: -178.862 flat angles P-C4'-P energy: -123.700 tors. eta vs tors. theta energy: -229.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2805.026603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.026603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.026603 (E_RNA) where: Base-Base interactions energy: -1987.053 where: short stacking energy: -835.770 Base-Backbone interact. energy: -2.630 local terms energy: -815.344233 where: bonds (distance) C4'-P energy: -151.609 bonds (distance) P-C4' energy: -145.115 flat angles C4'-P-C4' energy: -175.069 flat angles P-C4'-P energy: -138.448 tors. eta vs tors. theta energy: -205.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2730.844003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.844003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.844003 (E_RNA) where: Base-Base interactions energy: -1944.335 where: short stacking energy: -815.013 Base-Backbone interact. energy: -4.628 local terms energy: -781.880732 where: bonds (distance) C4'-P energy: -140.203 bonds (distance) P-C4' energy: -159.669 flat angles C4'-P-C4' energy: -164.729 flat angles P-C4'-P energy: -109.998 tors. eta vs tors. theta energy: -207.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2598.571719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.571719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.571719 (E_RNA) where: Base-Base interactions energy: -1838.855 where: short stacking energy: -712.649 Base-Backbone interact. energy: -1.098 local terms energy: -758.619539 where: bonds (distance) C4'-P energy: -148.978 bonds (distance) P-C4' energy: -156.438 flat angles C4'-P-C4' energy: -168.303 flat angles P-C4'-P energy: -99.895 tors. eta vs tors. theta energy: -185.005 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: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2403.765434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.765434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.765434 (E_RNA) where: Base-Base interactions energy: -1684.406 where: short stacking energy: -703.819 Base-Backbone interact. energy: -3.861 local terms energy: -715.498546 where: bonds (distance) C4'-P energy: -142.683 bonds (distance) P-C4' energy: -134.875 flat angles C4'-P-C4' energy: -159.682 flat angles P-C4'-P energy: -113.471 tors. eta vs tors. theta energy: -164.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2330.633556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.633556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.633556 (E_RNA) where: Base-Base interactions energy: -1592.697 where: short stacking energy: -701.166 Base-Backbone interact. energy: -2.842 local terms energy: -735.094801 where: bonds (distance) C4'-P energy: -132.328 bonds (distance) P-C4' energy: -143.062 flat angles C4'-P-C4' energy: -150.792 flat angles P-C4'-P energy: -107.066 tors. eta vs tors. theta energy: -201.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -2016.108270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.108270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.108270 (E_RNA) where: Base-Base interactions energy: -1397.880 where: short stacking energy: -597.325 Base-Backbone interact. energy: 2.299 local terms energy: -620.527771 where: bonds (distance) C4'-P energy: -136.626 bonds (distance) P-C4' energy: -139.851 flat angles C4'-P-C4' energy: -140.885 flat angles P-C4'-P energy: -72.243 tors. eta vs tors. theta energy: -130.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1672.183604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.183604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.183604 (E_RNA) where: Base-Base interactions energy: -1091.268 where: short stacking energy: -496.991 Base-Backbone interact. energy: -3.624 local terms energy: -577.291498 where: bonds (distance) C4'-P energy: -126.732 bonds (distance) P-C4' energy: -126.920 flat angles C4'-P-C4' energy: -135.176 flat angles P-C4'-P energy: -88.405 tors. eta vs tors. theta energy: -100.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1399.534060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.534060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.534060 (E_RNA) where: Base-Base interactions energy: -900.186 where: short stacking energy: -425.648 Base-Backbone interact. energy: 1.279 local terms energy: -500.627063 where: bonds (distance) C4'-P energy: -134.982 bonds (distance) P-C4' energy: -130.838 flat angles C4'-P-C4' energy: -116.624 flat angles P-C4'-P energy: -56.639 tors. eta vs tors. theta energy: -61.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2994.309513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.309513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.309513 (E_RNA) where: Base-Base interactions energy: -2125.417 where: short stacking energy: -878.223 Base-Backbone interact. energy: -3.378 local terms energy: -865.514445 where: bonds (distance) C4'-P energy: -164.255 bonds (distance) P-C4' energy: -160.268 flat angles C4'-P-C4' energy: -187.496 flat angles P-C4'-P energy: -112.812 tors. eta vs tors. theta energy: -240.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2872.957559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.957559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.957559 (E_RNA) where: Base-Base interactions energy: -2041.924 where: short stacking energy: -895.723 Base-Backbone interact. energy: -2.800 local terms energy: -828.233735 where: bonds (distance) C4'-P energy: -157.266 bonds (distance) P-C4' energy: -142.443 flat angles C4'-P-C4' energy: -174.049 flat angles P-C4'-P energy: -115.586 tors. eta vs tors. theta energy: -238.890 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: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2805.778503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.778503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.778503 (E_RNA) where: Base-Base interactions energy: -1998.231 where: short stacking energy: -826.906 Base-Backbone interact. energy: -4.365 local terms energy: -803.182084 where: bonds (distance) C4'-P energy: -149.159 bonds (distance) P-C4' energy: -153.479 flat angles C4'-P-C4' energy: -172.817 flat angles P-C4'-P energy: -105.834 tors. eta vs tors. theta energy: -221.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2712.275387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.275387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.275387 (E_RNA) where: Base-Base interactions energy: -1916.045 where: short stacking energy: -806.477 Base-Backbone interact. energy: -2.852 local terms energy: -793.379081 where: bonds (distance) C4'-P energy: -149.577 bonds (distance) P-C4' energy: -143.794 flat angles C4'-P-C4' energy: -171.350 flat angles P-C4'-P energy: -112.750 tors. eta vs tors. theta energy: -215.909 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: 276 Temperature: 1.100000 Total energy: -2612.740407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.740407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.740407 (E_RNA) where: Base-Base interactions energy: -1849.583 where: short stacking energy: -779.816 Base-Backbone interact. energy: -3.345 local terms energy: -759.812694 where: bonds (distance) C4'-P energy: -141.280 bonds (distance) P-C4' energy: -140.842 flat angles C4'-P-C4' energy: -160.482 flat angles P-C4'-P energy: -100.189 tors. eta vs tors. theta energy: -217.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2409.630786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.630786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.630786 (E_RNA) where: Base-Base interactions energy: -1715.409 where: short stacking energy: -717.611 Base-Backbone interact. energy: -1.716 local terms energy: -692.505712 where: bonds (distance) C4'-P energy: -121.985 bonds (distance) P-C4' energy: -131.186 flat angles C4'-P-C4' energy: -184.034 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: -177.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2381.995504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.995504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.995504 (E_RNA) where: Base-Base interactions energy: -1680.221 where: short stacking energy: -735.209 Base-Backbone interact. energy: -2.155 local terms energy: -699.619347 where: bonds (distance) C4'-P energy: -122.261 bonds (distance) P-C4' energy: -143.435 flat angles C4'-P-C4' energy: -134.737 flat angles P-C4'-P energy: -90.541 tors. eta vs tors. theta energy: -208.646 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: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -2040.347829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.347829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.347829 (E_RNA) where: Base-Base interactions energy: -1430.733 where: short stacking energy: -642.653 Base-Backbone interact. energy: 2.420 local terms energy: -612.035251 where: bonds (distance) C4'-P energy: -114.241 bonds (distance) P-C4' energy: -138.751 flat angles C4'-P-C4' energy: -141.101 flat angles P-C4'-P energy: -94.578 tors. eta vs tors. theta energy: -123.364 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: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1718.446994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.446994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.446994 (E_RNA) where: Base-Base interactions energy: -1135.443 where: short stacking energy: -501.385 Base-Backbone interact. energy: -1.749 local terms energy: -581.254744 where: bonds (distance) C4'-P energy: -107.790 bonds (distance) P-C4' energy: -133.462 flat angles C4'-P-C4' energy: -152.430 flat angles P-C4'-P energy: -90.234 tors. eta vs tors. theta energy: -97.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1430.764755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.764755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.764755 (E_RNA) where: Base-Base interactions energy: -917.114 where: short stacking energy: -415.860 Base-Backbone interact. energy: -3.415 local terms energy: -510.235885 where: bonds (distance) C4'-P energy: -108.517 bonds (distance) P-C4' energy: -125.087 flat angles C4'-P-C4' energy: -113.198 flat angles P-C4'-P energy: -92.113 tors. eta vs tors. theta energy: -71.321 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: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2982.857253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.857253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.857253 (E_RNA) where: Base-Base interactions energy: -2114.584 where: short stacking energy: -880.312 Base-Backbone interact. energy: 1.855 local terms energy: -870.128623 where: bonds (distance) C4'-P energy: -170.576 bonds (distance) P-C4' energy: -163.078 flat angles C4'-P-C4' energy: -176.636 flat angles P-C4'-P energy: -125.329 tors. eta vs tors. theta energy: -234.509 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: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2884.888729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.888729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.888729 (E_RNA) where: Base-Base interactions energy: -2041.042 where: short stacking energy: -854.343 Base-Backbone interact. energy: -5.013 local terms energy: -838.834130 where: bonds (distance) C4'-P energy: -137.670 bonds (distance) P-C4' energy: -167.282 flat angles C4'-P-C4' energy: -184.833 flat angles P-C4'-P energy: -113.147 tors. eta vs tors. theta energy: -235.903 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: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2804.252041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.252041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.252041 (E_RNA) where: Base-Base interactions energy: -2016.555 where: short stacking energy: -830.048 Base-Backbone interact. energy: -1.082 local terms energy: -786.614584 where: bonds (distance) C4'-P energy: -146.355 bonds (distance) P-C4' energy: -154.764 flat angles C4'-P-C4' energy: -165.955 flat angles P-C4'-P energy: -111.254 tors. eta vs tors. theta energy: -208.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2772.069046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.069046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.069046 (E_RNA) where: Base-Base interactions energy: -1974.158 where: short stacking energy: -829.480 Base-Backbone interact. energy: -5.382 local terms energy: -792.528758 where: bonds (distance) C4'-P energy: -143.061 bonds (distance) P-C4' energy: -150.590 flat angles C4'-P-C4' energy: -180.022 flat angles P-C4'-P energy: -105.798 tors. eta vs tors. theta energy: -213.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2571.360129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.360129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.360129 (E_RNA) where: Base-Base interactions energy: -1838.694 where: short stacking energy: -769.985 Base-Backbone interact. energy: 1.997 local terms energy: -734.662722 where: bonds (distance) C4'-P energy: -121.422 bonds (distance) P-C4' energy: -139.681 flat angles C4'-P-C4' energy: -164.411 flat angles P-C4'-P energy: -107.448 tors. eta vs tors. theta energy: -201.702 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: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2463.532030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.532030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.532030 (E_RNA) where: Base-Base interactions energy: -1743.731 where: short stacking energy: -727.275 Base-Backbone interact. energy: -1.065 local terms energy: -718.735381 where: bonds (distance) C4'-P energy: -111.814 bonds (distance) P-C4' energy: -159.506 flat angles C4'-P-C4' energy: -155.602 flat angles P-C4'-P energy: -88.289 tors. eta vs tors. theta energy: -203.524 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: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2317.419557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.419557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.419557 (E_RNA) where: Base-Base interactions energy: -1644.492 where: short stacking energy: -689.730 Base-Backbone interact. energy: -2.309 local terms energy: -670.618258 where: bonds (distance) C4'-P energy: -130.498 bonds (distance) P-C4' energy: -113.870 flat angles C4'-P-C4' energy: -148.713 flat angles P-C4'-P energy: -106.016 tors. eta vs tors. theta energy: -171.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -2035.397855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.397855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.397855 (E_RNA) where: Base-Base interactions energy: -1416.506 where: short stacking energy: -614.768 Base-Backbone interact. energy: 3.712 local terms energy: -622.604035 where: bonds (distance) C4'-P energy: -127.920 bonds (distance) P-C4' energy: -136.159 flat angles C4'-P-C4' energy: -142.900 flat angles P-C4'-P energy: -91.803 tors. eta vs tors. theta energy: -123.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1707.111310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.111310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.111310 (E_RNA) where: Base-Base interactions energy: -1120.264 where: short stacking energy: -504.524 Base-Backbone interact. energy: 0.127 local terms energy: -586.974098 where: bonds (distance) C4'-P energy: -123.016 bonds (distance) P-C4' energy: -137.289 flat angles C4'-P-C4' energy: -122.199 flat angles P-C4'-P energy: -83.648 tors. eta vs tors. theta energy: -120.822 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: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1422.717816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.717816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.717816 (E_RNA) where: Base-Base interactions energy: -903.063 where: short stacking energy: -416.685 Base-Backbone interact. energy: -0.464 local terms energy: -519.190531 where: bonds (distance) C4'-P energy: -115.423 bonds (distance) P-C4' energy: -132.651 flat angles C4'-P-C4' energy: -124.998 flat angles P-C4'-P energy: -71.805 tors. eta vs tors. theta energy: -74.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2998.297582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.297582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.297582 (E_RNA) where: Base-Base interactions energy: -2114.981 where: short stacking energy: -852.900 Base-Backbone interact. energy: -5.225 local terms energy: -878.091473 where: bonds (distance) C4'-P energy: -179.013 bonds (distance) P-C4' energy: -174.192 flat angles C4'-P-C4' energy: -177.262 flat angles P-C4'-P energy: -111.918 tors. eta vs tors. theta energy: -235.707 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: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2855.998750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.998750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.998750 (E_RNA) where: Base-Base interactions energy: -2010.625 where: short stacking energy: -835.281 Base-Backbone interact. energy: -4.839 local terms energy: -840.534134 where: bonds (distance) C4'-P energy: -154.333 bonds (distance) P-C4' energy: -143.628 flat angles C4'-P-C4' energy: -186.758 flat angles P-C4'-P energy: -117.369 tors. eta vs tors. theta energy: -238.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2837.191306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.191306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.191306 (E_RNA) where: Base-Base interactions energy: -2024.791 where: short stacking energy: -843.023 Base-Backbone interact. energy: 0.910 local terms energy: -813.311048 where: bonds (distance) C4'-P energy: -157.860 bonds (distance) P-C4' energy: -159.119 flat angles C4'-P-C4' energy: -171.258 flat angles P-C4'-P energy: -112.046 tors. eta vs tors. theta energy: -213.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2721.602682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.602682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.602682 (E_RNA) where: Base-Base interactions energy: -1951.876 where: short stacking energy: -828.217 Base-Backbone interact. energy: -4.853 local terms energy: -764.873218 where: bonds (distance) C4'-P energy: -139.035 bonds (distance) P-C4' energy: -153.184 flat angles C4'-P-C4' energy: -160.415 flat angles P-C4'-P energy: -105.694 tors. eta vs tors. theta energy: -206.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2573.979284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.979284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.979284 (E_RNA) where: Base-Base interactions energy: -1795.899 where: short stacking energy: -701.035 Base-Backbone interact. energy: -5.524 local terms energy: -772.556018 where: bonds (distance) C4'-P energy: -147.336 bonds (distance) P-C4' energy: -135.650 flat angles C4'-P-C4' energy: -182.640 flat angles P-C4'-P energy: -129.888 tors. eta vs tors. theta energy: -177.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2485.265407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.265407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.265407 (E_RNA) where: Base-Base interactions energy: -1739.238 where: short stacking energy: -780.590 Base-Backbone interact. energy: -1.537 local terms energy: -744.489870 where: bonds (distance) C4'-P energy: -136.377 bonds (distance) P-C4' energy: -134.866 flat angles C4'-P-C4' energy: -149.465 flat angles P-C4'-P energy: -104.507 tors. eta vs tors. theta energy: -219.275 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: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2311.828300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.828300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.828300 (E_RNA) where: Base-Base interactions energy: -1626.376 where: short stacking energy: -696.349 Base-Backbone interact. energy: 3.381 local terms energy: -688.833607 where: bonds (distance) C4'-P energy: -141.130 bonds (distance) P-C4' energy: -131.542 flat angles C4'-P-C4' energy: -151.253 flat angles P-C4'-P energy: -100.984 tors. eta vs tors. theta energy: -163.924 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: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -2030.708076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.708076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.708076 (E_RNA) where: Base-Base interactions energy: -1412.058 where: short stacking energy: -600.407 Base-Backbone interact. energy: -4.192 local terms energy: -614.458372 where: bonds (distance) C4'-P energy: -111.948 bonds (distance) P-C4' energy: -130.077 flat angles C4'-P-C4' energy: -144.356 flat angles P-C4'-P energy: -94.154 tors. eta vs tors. theta energy: -133.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1717.533467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.533467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.533467 (E_RNA) where: Base-Base interactions energy: -1160.556 where: short stacking energy: -532.054 Base-Backbone interact. energy: 3.994 local terms energy: -560.971641 where: bonds (distance) C4'-P energy: -100.623 bonds (distance) P-C4' energy: -131.453 flat angles C4'-P-C4' energy: -134.260 flat angles P-C4'-P energy: -87.742 tors. eta vs tors. theta energy: -106.893 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: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1415.916556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.916556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.916556 (E_RNA) where: Base-Base interactions energy: -901.572 where: short stacking energy: -407.590 Base-Backbone interact. energy: -0.961 local terms energy: -513.383494 where: bonds (distance) C4'-P energy: -111.892 bonds (distance) P-C4' energy: -114.605 flat angles C4'-P-C4' energy: -141.866 flat angles P-C4'-P energy: -77.852 tors. eta vs tors. theta energy: -67.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3040.675670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.675670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.675670 (E_RNA) where: Base-Base interactions energy: -2161.084 where: short stacking energy: -912.001 Base-Backbone interact. energy: -3.811 local terms energy: -875.780516 where: bonds (distance) C4'-P energy: -169.319 bonds (distance) P-C4' energy: -157.284 flat angles C4'-P-C4' energy: -191.144 flat angles P-C4'-P energy: -125.053 tors. eta vs tors. theta energy: -232.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2897.340832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.340832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.340832 (E_RNA) where: Base-Base interactions energy: -2083.076 where: short stacking energy: -878.136 Base-Backbone interact. energy: -1.845 local terms energy: -812.419597 where: bonds (distance) C4'-P energy: -133.211 bonds (distance) P-C4' energy: -159.368 flat angles C4'-P-C4' energy: -177.304 flat angles P-C4'-P energy: -111.453 tors. eta vs tors. theta energy: -231.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2820.790525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.790525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.790525 (E_RNA) where: Base-Base interactions energy: -1959.571 where: short stacking energy: -815.282 Base-Backbone interact. energy: -2.554 local terms energy: -858.664970 where: bonds (distance) C4'-P energy: -168.130 bonds (distance) P-C4' energy: -153.532 flat angles C4'-P-C4' energy: -193.139 flat angles P-C4'-P energy: -120.941 tors. eta vs tors. theta energy: -222.923 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: 4, replica: 2 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2745.185507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.185507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.185507 (E_RNA) where: Base-Base interactions energy: -1976.487 where: short stacking energy: -808.227 Base-Backbone interact. energy: -1.200 local terms energy: -767.499221 where: bonds (distance) C4'-P energy: -135.084 bonds (distance) P-C4' energy: -144.770 flat angles C4'-P-C4' energy: -170.444 flat angles P-C4'-P energy: -104.553 tors. eta vs tors. theta energy: -212.649 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: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2589.253964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.253964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.253964 (E_RNA) where: Base-Base interactions energy: -1836.395 where: short stacking energy: -749.879 Base-Backbone interact. energy: 3.074 local terms energy: -755.933239 where: bonds (distance) C4'-P energy: -129.913 bonds (distance) P-C4' energy: -148.104 flat angles C4'-P-C4' energy: -185.544 flat angles P-C4'-P energy: -102.310 tors. eta vs tors. theta energy: -190.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2448.712032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.712032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.712032 (E_RNA) where: Base-Base interactions energy: -1730.911 where: short stacking energy: -754.384 Base-Backbone interact. energy: -1.761 local terms energy: -716.040026 where: bonds (distance) C4'-P energy: -117.917 bonds (distance) P-C4' energy: -157.111 flat angles C4'-P-C4' energy: -151.503 flat angles P-C4'-P energy: -94.981 tors. eta vs tors. theta energy: -194.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2282.111143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.111143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.111143 (E_RNA) where: Base-Base interactions energy: -1633.216 where: short stacking energy: -651.338 Base-Backbone interact. energy: 0.691 local terms energy: -649.586149 where: bonds (distance) C4'-P energy: -114.566 bonds (distance) P-C4' energy: -135.460 flat angles C4'-P-C4' energy: -151.732 flat angles P-C4'-P energy: -87.848 tors. eta vs tors. theta energy: -159.979 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: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -2133.933998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.933998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.933998 (E_RNA) where: Base-Base interactions energy: -1472.611 where: short stacking energy: -643.386 Base-Backbone interact. energy: -0.414 local terms energy: -660.908798 where: bonds (distance) C4'-P energy: -145.333 bonds (distance) P-C4' energy: -131.408 flat angles C4'-P-C4' energy: -133.225 flat angles P-C4'-P energy: -104.694 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: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1741.384622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.384622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.384622 (E_RNA) where: Base-Base interactions energy: -1185.425 where: short stacking energy: -564.262 Base-Backbone interact. energy: 0.731 local terms energy: -556.691258 where: bonds (distance) C4'-P energy: -139.048 bonds (distance) P-C4' energy: -104.480 flat angles C4'-P-C4' energy: -121.139 flat angles P-C4'-P energy: -82.263 tors. eta vs tors. theta energy: -109.761 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: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1342.243707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.243707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.243707 (E_RNA) where: Base-Base interactions energy: -862.002 where: short stacking energy: -408.093 Base-Backbone interact. energy: 2.197 local terms energy: -482.438576 where: bonds (distance) C4'-P energy: -114.461 bonds (distance) P-C4' energy: -121.598 flat angles C4'-P-C4' energy: -125.110 flat angles P-C4'-P energy: -61.106 tors. eta vs tors. theta energy: -60.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3041.846684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.846684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.846684 (E_RNA) where: Base-Base interactions energy: -2175.243 where: short stacking energy: -915.423 Base-Backbone interact. energy: -4.152 local terms energy: -862.451890 where: bonds (distance) C4'-P energy: -142.240 bonds (distance) P-C4' energy: -174.261 flat angles C4'-P-C4' energy: -191.150 flat angles P-C4'-P energy: -126.333 tors. eta vs tors. theta energy: -228.468 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: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2872.740707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.740707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.740707 (E_RNA) where: Base-Base interactions energy: -2023.776 where: short stacking energy: -837.497 Base-Backbone interact. energy: -6.324 local terms energy: -842.640636 where: bonds (distance) C4'-P energy: -148.588 bonds (distance) P-C4' energy: -157.754 flat angles C4'-P-C4' energy: -191.275 flat angles P-C4'-P energy: -122.734 tors. eta vs tors. theta energy: -222.290 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: 3, replica: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2810.975988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.975988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.975988 (E_RNA) where: Base-Base interactions energy: -1971.960 where: short stacking energy: -844.510 Base-Backbone interact. energy: -0.895 local terms energy: -838.121144 where: bonds (distance) C4'-P energy: -157.716 bonds (distance) P-C4' energy: -148.256 flat angles C4'-P-C4' energy: -174.173 flat angles P-C4'-P energy: -118.694 tors. eta vs tors. theta energy: -239.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2730.438885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.438885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.438885 (E_RNA) where: Base-Base interactions energy: -1931.286 where: short stacking energy: -799.585 Base-Backbone interact. energy: -6.913 local terms energy: -792.239839 where: bonds (distance) C4'-P energy: -130.772 bonds (distance) P-C4' energy: -162.430 flat angles C4'-P-C4' energy: -176.408 flat angles P-C4'-P energy: -112.223 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: 280 Temperature: 1.100000 Total energy: -2591.849918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.849918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.849918 (E_RNA) where: Base-Base interactions energy: -1874.409 where: short stacking energy: -748.612 Base-Backbone interact. energy: -4.227 local terms energy: -713.214076 where: bonds (distance) C4'-P energy: -117.357 bonds (distance) P-C4' energy: -144.959 flat angles C4'-P-C4' energy: -152.280 flat angles P-C4'-P energy: -105.334 tors. eta vs tors. theta energy: -193.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2486.777031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.777031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.777031 (E_RNA) where: Base-Base interactions energy: -1727.548 where: short stacking energy: -734.805 Base-Backbone interact. energy: -1.241 local terms energy: -757.988069 where: bonds (distance) C4'-P energy: -121.012 bonds (distance) P-C4' energy: -155.652 flat angles C4'-P-C4' energy: -174.682 flat angles P-C4'-P energy: -109.835 tors. eta vs tors. theta energy: -196.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2221.313824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.313824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.313824 (E_RNA) where: Base-Base interactions energy: -1550.186 where: short stacking energy: -657.960 Base-Backbone interact. energy: -1.294 local terms energy: -669.833848 where: bonds (distance) C4'-P energy: -142.064 bonds (distance) P-C4' energy: -115.621 flat angles C4'-P-C4' energy: -162.988 flat angles P-C4'-P energy: -100.124 tors. eta vs tors. theta energy: -149.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -2152.198386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.198386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.198386 (E_RNA) where: Base-Base interactions energy: -1533.294 where: short stacking energy: -660.351 Base-Backbone interact. energy: 1.889 local terms energy: -620.793701 where: bonds (distance) C4'-P energy: -126.464 bonds (distance) P-C4' energy: -116.072 flat angles C4'-P-C4' energy: -148.593 flat angles P-C4'-P energy: -76.991 tors. eta vs tors. theta energy: -152.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1756.889195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.889195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.889195 (E_RNA) where: Base-Base interactions energy: -1172.467 where: short stacking energy: -505.203 Base-Backbone interact. energy: -0.538 local terms energy: -583.883818 where: bonds (distance) C4'-P energy: -126.822 bonds (distance) P-C4' energy: -155.007 flat angles C4'-P-C4' energy: -122.028 flat angles P-C4'-P energy: -78.616 tors. eta vs tors. theta energy: -101.411 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: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1285.046665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.046665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.046665 (E_RNA) where: Base-Base interactions energy: -780.471 where: short stacking energy: -369.168 Base-Backbone interact. energy: 2.119 local terms energy: -506.694682 where: bonds (distance) C4'-P energy: -96.132 bonds (distance) P-C4' energy: -125.369 flat angles C4'-P-C4' energy: -138.121 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -54.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2988.227574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.227574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.227574 (E_RNA) where: Base-Base interactions energy: -2125.730 where: short stacking energy: -900.444 Base-Backbone interact. energy: -5.244 local terms energy: -857.253346 where: bonds (distance) C4'-P energy: -164.221 bonds (distance) P-C4' energy: -149.398 flat angles C4'-P-C4' energy: -185.908 flat angles P-C4'-P energy: -118.723 tors. eta vs tors. theta energy: -239.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2865.155260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.155260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.155260 (E_RNA) where: Base-Base interactions energy: -2035.879 where: short stacking energy: -867.943 Base-Backbone interact. energy: 2.310 local terms energy: -831.587123 where: bonds (distance) C4'-P energy: -165.866 bonds (distance) P-C4' energy: -159.612 flat angles C4'-P-C4' energy: -168.294 flat angles P-C4'-P energy: -109.163 tors. eta vs tors. theta energy: -228.652 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: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2825.142912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.142912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.142912 (E_RNA) where: Base-Base interactions energy: -1989.971 where: short stacking energy: -858.192 Base-Backbone interact. energy: -2.716 local terms energy: -832.455472 where: bonds (distance) C4'-P energy: -149.053 bonds (distance) P-C4' energy: -149.210 flat angles C4'-P-C4' energy: -176.740 flat angles P-C4'-P energy: -121.036 tors. eta vs tors. theta energy: -236.416 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: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2700.012011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.012011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.012011 (E_RNA) where: Base-Base interactions energy: -1937.228 where: short stacking energy: -797.717 Base-Backbone interact. energy: -0.305 local terms energy: -762.479909 where: bonds (distance) C4'-P energy: -123.650 bonds (distance) P-C4' energy: -143.155 flat angles C4'-P-C4' energy: -182.202 flat angles P-C4'-P energy: -103.984 tors. eta vs tors. theta energy: -209.489 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: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2583.443215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.443215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.443215 (E_RNA) where: Base-Base interactions energy: -1822.152 where: short stacking energy: -755.473 Base-Backbone interact. energy: 2.673 local terms energy: -763.964416 where: bonds (distance) C4'-P energy: -144.600 bonds (distance) P-C4' energy: -144.762 flat angles C4'-P-C4' energy: -162.683 flat angles P-C4'-P energy: -117.389 tors. eta vs tors. theta energy: -194.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2484.493975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.493975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.493975 (E_RNA) where: Base-Base interactions energy: -1749.454 where: short stacking energy: -788.275 Base-Backbone interact. energy: -1.582 local terms energy: -733.458591 where: bonds (distance) C4'-P energy: -130.090 bonds (distance) P-C4' energy: -128.409 flat angles C4'-P-C4' energy: -168.831 flat angles P-C4'-P energy: -90.169 tors. eta vs tors. theta energy: -215.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2263.975683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.975683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.975683 (E_RNA) where: Base-Base interactions energy: -1567.195 where: short stacking energy: -655.715 Base-Backbone interact. energy: -0.665 local terms energy: -696.115571 where: bonds (distance) C4'-P energy: -149.638 bonds (distance) P-C4' energy: -147.454 flat angles C4'-P-C4' energy: -136.804 flat angles P-C4'-P energy: -106.926 tors. eta vs tors. theta energy: -155.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -2096.359661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.359661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.359661 (E_RNA) where: Base-Base interactions energy: -1480.296 where: short stacking energy: -642.524 Base-Backbone interact. energy: -0.141 local terms energy: -615.922426 where: bonds (distance) C4'-P energy: -117.352 bonds (distance) P-C4' energy: -141.669 flat angles C4'-P-C4' energy: -141.863 flat angles P-C4'-P energy: -77.278 tors. eta vs tors. theta energy: -137.760 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: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1709.504190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.504190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.504190 (E_RNA) where: Base-Base interactions energy: -1143.327 where: short stacking energy: -516.313 Base-Backbone interact. energy: 3.571 local terms energy: -569.747838 where: bonds (distance) C4'-P energy: -117.246 bonds (distance) P-C4' energy: -128.793 flat angles C4'-P-C4' energy: -133.690 flat angles P-C4'-P energy: -85.083 tors. eta vs tors. theta energy: -104.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1317.914069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.914069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.914069 (E_RNA) where: Base-Base interactions energy: -818.917 where: short stacking energy: -384.584 Base-Backbone interact. energy: -4.112 local terms energy: -494.884443 where: bonds (distance) C4'-P energy: -117.517 bonds (distance) P-C4' energy: -141.049 flat angles C4'-P-C4' energy: -116.272 flat angles P-C4'-P energy: -64.783 tors. eta vs tors. theta energy: -55.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3006.548888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.548888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.548888 (E_RNA) where: Base-Base interactions energy: -2127.306 where: short stacking energy: -912.491 Base-Backbone interact. energy: -5.709 local terms energy: -873.533656 where: bonds (distance) C4'-P energy: -160.837 bonds (distance) P-C4' energy: -163.178 flat angles C4'-P-C4' energy: -182.699 flat angles P-C4'-P energy: -126.694 tors. eta vs tors. theta energy: -240.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2870.532030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.532030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.532030 (E_RNA) where: Base-Base interactions energy: -2024.918 where: short stacking energy: -861.216 Base-Backbone interact. energy: -0.261 local terms energy: -845.352551 where: bonds (distance) C4'-P energy: -164.024 bonds (distance) P-C4' energy: -161.386 flat angles C4'-P-C4' energy: -180.024 flat angles P-C4'-P energy: -120.487 tors. eta vs tors. theta energy: -219.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2823.491400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.491400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.491400 (E_RNA) where: Base-Base interactions energy: -1986.474 where: short stacking energy: -852.898 Base-Backbone interact. energy: -4.732 local terms energy: -832.285329 where: bonds (distance) C4'-P energy: -138.942 bonds (distance) P-C4' energy: -156.817 flat angles C4'-P-C4' energy: -183.385 flat angles P-C4'-P energy: -113.379 tors. eta vs tors. theta energy: -239.762 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: 282 Temperature: 1.050000 Total energy: -2681.277493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.277493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.277493 (E_RNA) where: Base-Base interactions energy: -1919.164 where: short stacking energy: -790.265 Base-Backbone interact. energy: 0.338 local terms energy: -762.451970 where: bonds (distance) C4'-P energy: -149.850 bonds (distance) P-C4' energy: -132.082 flat angles C4'-P-C4' energy: -178.602 flat angles P-C4'-P energy: -109.734 tors. eta vs tors. theta energy: -192.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2578.624651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.624651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.624651 (E_RNA) where: Base-Base interactions energy: -1833.565 where: short stacking energy: -732.186 Base-Backbone interact. energy: -2.342 local terms energy: -742.717865 where: bonds (distance) C4'-P energy: -139.057 bonds (distance) P-C4' energy: -140.699 flat angles C4'-P-C4' energy: -166.026 flat angles P-C4'-P energy: -107.323 tors. eta vs tors. theta energy: -189.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2507.752762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.752762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.752762 (E_RNA) where: Base-Base interactions energy: -1749.190 where: short stacking energy: -756.204 Base-Backbone interact. energy: 4.828 local terms energy: -763.390775 where: bonds (distance) C4'-P energy: -125.280 bonds (distance) P-C4' energy: -149.770 flat angles C4'-P-C4' energy: -177.898 flat angles P-C4'-P energy: -97.147 tors. eta vs tors. theta energy: -213.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2225.961394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.961394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.961394 (E_RNA) where: Base-Base interactions energy: -1541.712 where: short stacking energy: -671.430 Base-Backbone interact. energy: 0.329 local terms energy: -684.577675 where: bonds (distance) C4'-P energy: -135.121 bonds (distance) P-C4' energy: -131.131 flat angles C4'-P-C4' energy: -153.907 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -163.148 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: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -2109.791529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.791529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.791529 (E_RNA) where: Base-Base interactions energy: -1425.292 where: short stacking energy: -626.781 Base-Backbone interact. energy: 1.159 local terms energy: -685.658520 where: bonds (distance) C4'-P energy: -144.032 bonds (distance) P-C4' energy: -141.641 flat angles C4'-P-C4' energy: -163.162 flat angles P-C4'-P energy: -92.930 tors. eta vs tors. theta energy: -143.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1642.240180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.240180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.240180 (E_RNA) where: Base-Base interactions energy: -1111.336 where: short stacking energy: -492.137 Base-Backbone interact. energy: -2.853 local terms energy: -528.051108 where: bonds (distance) C4'-P energy: -127.061 bonds (distance) P-C4' energy: -114.180 flat angles C4'-P-C4' energy: -133.305 flat angles P-C4'-P energy: -72.155 tors. eta vs tors. theta energy: -81.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1427.723912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.723912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.723912 (E_RNA) where: Base-Base interactions energy: -912.631 where: short stacking energy: -420.149 Base-Backbone interact. energy: 3.696 local terms energy: -518.789513 where: bonds (distance) C4'-P energy: -115.572 bonds (distance) P-C4' energy: -136.825 flat angles C4'-P-C4' energy: -122.972 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -63.089 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: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2989.406630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.406630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.406630 (E_RNA) where: Base-Base interactions energy: -2120.291 where: short stacking energy: -919.442 Base-Backbone interact. energy: -1.002 local terms energy: -868.113874 where: bonds (distance) C4'-P energy: -152.824 bonds (distance) P-C4' energy: -168.235 flat angles C4'-P-C4' energy: -178.883 flat angles P-C4'-P energy: -124.108 tors. eta vs tors. theta energy: -244.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2919.346888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.346888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.346888 (E_RNA) where: Base-Base interactions energy: -2113.859 where: short stacking energy: -889.034 Base-Backbone interact. energy: 1.388 local terms energy: -806.876762 where: bonds (distance) C4'-P energy: -140.016 bonds (distance) P-C4' energy: -149.796 flat angles C4'-P-C4' energy: -179.265 flat angles P-C4'-P energy: -116.492 tors. eta vs tors. theta energy: -221.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2799.163152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.163152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.163152 (E_RNA) where: Base-Base interactions energy: -1976.254 where: short stacking energy: -849.033 Base-Backbone interact. energy: -4.179 local terms energy: -818.730216 where: bonds (distance) C4'-P energy: -163.657 bonds (distance) P-C4' energy: -154.444 flat angles C4'-P-C4' energy: -158.285 flat angles P-C4'-P energy: -117.203 tors. eta vs tors. theta energy: -225.141 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: 4, replica: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2739.214600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.214600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.214600 (E_RNA) where: Base-Base interactions energy: -1955.448 where: short stacking energy: -839.389 Base-Backbone interact. energy: 0.310 local terms energy: -784.077052 where: bonds (distance) C4'-P energy: -137.066 bonds (distance) P-C4' energy: -140.528 flat angles C4'-P-C4' energy: -164.918 flat angles P-C4'-P energy: -113.805 tors. eta vs tors. theta energy: -227.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2632.396790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.396790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.396790 (E_RNA) where: Base-Base interactions energy: -1875.016 where: short stacking energy: -768.087 Base-Backbone interact. energy: -1.928 local terms energy: -755.453144 where: bonds (distance) C4'-P energy: -132.840 bonds (distance) P-C4' energy: -152.014 flat angles C4'-P-C4' energy: -166.546 flat angles P-C4'-P energy: -99.571 tors. eta vs tors. theta energy: -204.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2500.936389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.936389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.936389 (E_RNA) where: Base-Base interactions energy: -1750.148 where: short stacking energy: -750.573 Base-Backbone interact. energy: -0.633 local terms energy: -750.156028 where: bonds (distance) C4'-P energy: -124.373 bonds (distance) P-C4' energy: -152.800 flat angles C4'-P-C4' energy: -155.489 flat angles P-C4'-P energy: -115.100 tors. eta vs tors. theta energy: -202.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2218.732127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.732127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.732127 (E_RNA) where: Base-Base interactions energy: -1529.113 where: short stacking energy: -626.189 Base-Backbone interact. energy: -2.714 local terms energy: -686.905868 where: bonds (distance) C4'-P energy: -127.222 bonds (distance) P-C4' energy: -140.075 flat angles C4'-P-C4' energy: -168.239 flat angles P-C4'-P energy: -96.765 tors. eta vs tors. theta energy: -154.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -2070.211864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.211864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.211864 (E_RNA) where: Base-Base interactions energy: -1478.368 where: short stacking energy: -625.619 Base-Backbone interact. energy: 0.218 local terms energy: -592.061657 where: bonds (distance) C4'-P energy: -118.286 bonds (distance) P-C4' energy: -127.797 flat angles C4'-P-C4' energy: -138.061 flat angles P-C4'-P energy: -80.062 tors. eta vs tors. theta energy: -127.855 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: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1665.432552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.432552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.432552 (E_RNA) where: Base-Base interactions energy: -1092.215 where: short stacking energy: -506.021 Base-Backbone interact. energy: 2.923 local terms energy: -576.141028 where: bonds (distance) C4'-P energy: -119.259 bonds (distance) P-C4' energy: -127.840 flat angles C4'-P-C4' energy: -146.448 flat angles P-C4'-P energy: -92.645 tors. eta vs tors. theta energy: -89.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1437.815843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.815843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.815843 (E_RNA) where: Base-Base interactions energy: -941.814 where: short stacking energy: -409.796 Base-Backbone interact. energy: 0.384 local terms energy: -496.385929 where: bonds (distance) C4'-P energy: -113.399 bonds (distance) P-C4' energy: -111.131 flat angles C4'-P-C4' energy: -125.458 flat angles P-C4'-P energy: -73.601 tors. eta vs tors. theta energy: -72.798 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: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3012.037442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.037442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.037442 (E_RNA) where: Base-Base interactions energy: -2136.686 where: short stacking energy: -919.625 Base-Backbone interact. energy: -5.999 local terms energy: -869.353131 where: bonds (distance) C4'-P energy: -162.831 bonds (distance) P-C4' energy: -154.496 flat angles C4'-P-C4' energy: -189.469 flat angles P-C4'-P energy: -126.228 tors. eta vs tors. theta energy: -236.328 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: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2927.688713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.688713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.688713 (E_RNA) where: Base-Base interactions energy: -2076.239 where: short stacking energy: -884.249 Base-Backbone interact. energy: -7.830 local terms energy: -843.619991 where: bonds (distance) C4'-P energy: -158.562 bonds (distance) P-C4' energy: -165.910 flat angles C4'-P-C4' energy: -175.616 flat angles P-C4'-P energy: -116.051 tors. eta vs tors. theta energy: -227.481 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: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2806.183373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.183373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.183373 (E_RNA) where: Base-Base interactions energy: -1989.842 where: short stacking energy: -836.227 Base-Backbone interact. energy: -1.886 local terms energy: -814.454690 where: bonds (distance) C4'-P energy: -137.182 bonds (distance) P-C4' energy: -160.149 flat angles C4'-P-C4' energy: -170.599 flat angles P-C4'-P energy: -115.587 tors. eta vs tors. theta energy: -230.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2723.381651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.381651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.381651 (E_RNA) where: Base-Base interactions energy: -1952.205 where: short stacking energy: -836.116 Base-Backbone interact. energy: -0.979 local terms energy: -770.197980 where: bonds (distance) C4'-P energy: -136.545 bonds (distance) P-C4' energy: -141.475 flat angles C4'-P-C4' energy: -167.544 flat angles P-C4'-P energy: -109.402 tors. eta vs tors. theta energy: -215.233 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: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2590.105874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.105874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.105874 (E_RNA) where: Base-Base interactions energy: -1865.744 where: short stacking energy: -747.532 Base-Backbone interact. energy: -2.362 local terms energy: -721.999461 where: bonds (distance) C4'-P energy: -131.373 bonds (distance) P-C4' energy: -136.322 flat angles C4'-P-C4' energy: -163.224 flat angles P-C4'-P energy: -99.339 tors. eta vs tors. theta energy: -191.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2495.571749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.571749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.571749 (E_RNA) where: Base-Base interactions energy: -1776.271 where: short stacking energy: -770.399 Base-Backbone interact. energy: 6.074 local terms energy: -725.374776 where: bonds (distance) C4'-P energy: -116.537 bonds (distance) P-C4' energy: -124.094 flat angles C4'-P-C4' energy: -168.555 flat angles P-C4'-P energy: -115.387 tors. eta vs tors. theta energy: -200.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2231.947343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.947343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.947343 (E_RNA) where: Base-Base interactions energy: -1581.679 where: short stacking energy: -653.773 Base-Backbone interact. energy: -2.047 local terms energy: -648.221603 where: bonds (distance) C4'-P energy: -127.077 bonds (distance) P-C4' energy: -140.705 flat angles C4'-P-C4' energy: -139.385 flat angles P-C4'-P energy: -100.033 tors. eta vs tors. theta energy: -141.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -2055.441358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.441358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.441358 (E_RNA) where: Base-Base interactions energy: -1446.348 where: short stacking energy: -611.413 Base-Backbone interact. energy: -3.796 local terms energy: -605.297222 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -139.888 flat angles C4'-P-C4' energy: -128.513 flat angles P-C4'-P energy: -91.283 tors. eta vs tors. theta energy: -138.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1698.161289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.161289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.161289 (E_RNA) where: Base-Base interactions energy: -1136.594 where: short stacking energy: -486.814 Base-Backbone interact. energy: 2.617 local terms energy: -564.183716 where: bonds (distance) C4'-P energy: -118.132 bonds (distance) P-C4' energy: -130.933 flat angles C4'-P-C4' energy: -127.395 flat angles P-C4'-P energy: -86.889 tors. eta vs tors. theta energy: -100.835 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: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1444.865053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.865053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.865053 (E_RNA) where: Base-Base interactions energy: -935.862 where: short stacking energy: -413.498 Base-Backbone interact. energy: 2.088 local terms energy: -511.090645 where: bonds (distance) C4'-P energy: -101.693 bonds (distance) P-C4' energy: -128.362 flat angles C4'-P-C4' energy: -126.421 flat angles P-C4'-P energy: -74.606 tors. eta vs tors. theta energy: -80.008 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: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3026.692151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.692151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.692151 (E_RNA) where: Base-Base interactions energy: -2140.590 where: short stacking energy: -896.972 Base-Backbone interact. energy: -6.632 local terms energy: -879.469680 where: bonds (distance) C4'-P energy: -155.047 bonds (distance) P-C4' energy: -179.391 flat angles C4'-P-C4' energy: -190.745 flat angles P-C4'-P energy: -113.974 tors. eta vs tors. theta energy: -240.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2920.224001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.224001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.224001 (E_RNA) where: Base-Base interactions energy: -2103.293 where: short stacking energy: -883.423 Base-Backbone interact. energy: -2.312 local terms energy: -814.618359 where: bonds (distance) C4'-P energy: -144.897 bonds (distance) P-C4' energy: -160.823 flat angles C4'-P-C4' energy: -166.036 flat angles P-C4'-P energy: -115.529 tors. eta vs tors. theta energy: -227.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2821.499324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.499324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.499324 (E_RNA) where: Base-Base interactions energy: -2012.972 where: short stacking energy: -857.037 Base-Backbone interact. energy: -2.424 local terms energy: -806.102858 where: bonds (distance) C4'-P energy: -152.729 bonds (distance) P-C4' energy: -149.462 flat angles C4'-P-C4' energy: -160.080 flat angles P-C4'-P energy: -114.331 tors. eta vs tors. theta energy: -229.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2735.389549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.389549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.389549 (E_RNA) where: Base-Base interactions energy: -1966.351 where: short stacking energy: -823.346 Base-Backbone interact. energy: -4.249 local terms energy: -764.789112 where: bonds (distance) C4'-P energy: -133.131 bonds (distance) P-C4' energy: -146.587 flat angles C4'-P-C4' energy: -157.898 flat angles P-C4'-P energy: -106.245 tors. eta vs tors. theta energy: -220.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2596.135393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.135393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.135393 (E_RNA) where: Base-Base interactions energy: -1827.676 where: short stacking energy: -753.642 Base-Backbone interact. energy: -4.609 local terms energy: -763.850942 where: bonds (distance) C4'-P energy: -151.239 bonds (distance) P-C4' energy: -139.630 flat angles C4'-P-C4' energy: -161.947 flat angles P-C4'-P energy: -113.866 tors. eta vs tors. theta energy: -197.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2487.211237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.211237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.211237 (E_RNA) where: Base-Base interactions energy: -1755.334 where: short stacking energy: -735.774 Base-Backbone interact. energy: -3.928 local terms energy: -727.949610 where: bonds (distance) C4'-P energy: -121.009 bonds (distance) P-C4' energy: -137.199 flat angles C4'-P-C4' energy: -169.191 flat angles P-C4'-P energy: -118.921 tors. eta vs tors. theta energy: -181.629 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: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2198.193954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.193954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.193954 (E_RNA) where: Base-Base interactions energy: -1591.621 where: short stacking energy: -625.950 Base-Backbone interact. energy: -2.173 local terms energy: -604.399478 where: bonds (distance) C4'-P energy: -102.524 bonds (distance) P-C4' energy: -131.611 flat angles C4'-P-C4' energy: -161.654 flat angles P-C4'-P energy: -68.147 tors. eta vs tors. theta energy: -140.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -2092.635015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.635015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.635015 (E_RNA) where: Base-Base interactions energy: -1463.052 where: short stacking energy: -616.170 Base-Backbone interact. energy: 0.531 local terms energy: -630.113768 where: bonds (distance) C4'-P energy: -149.992 bonds (distance) P-C4' energy: -138.453 flat angles C4'-P-C4' energy: -113.306 flat angles P-C4'-P energy: -95.587 tors. eta vs tors. theta energy: -132.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1686.381403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.381403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.381403 (E_RNA) where: Base-Base interactions energy: -1121.698 where: short stacking energy: -499.993 Base-Backbone interact. energy: 0.823 local terms energy: -565.506062 where: bonds (distance) C4'-P energy: -126.240 bonds (distance) P-C4' energy: -131.782 flat angles C4'-P-C4' energy: -146.490 flat angles P-C4'-P energy: -65.023 tors. eta vs tors. theta energy: -95.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1343.948396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.948396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.948396 (E_RNA) where: Base-Base interactions energy: -864.660 where: short stacking energy: -391.317 Base-Backbone interact. energy: 0.226 local terms energy: -479.514237 where: bonds (distance) C4'-P energy: -125.065 bonds (distance) P-C4' energy: -115.520 flat angles C4'-P-C4' energy: -127.465 flat angles P-C4'-P energy: -69.841 tors. eta vs tors. theta energy: -41.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3009.489028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.489028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.489028 (E_RNA) where: Base-Base interactions energy: -2152.776 where: short stacking energy: -906.711 Base-Backbone interact. energy: -4.441 local terms energy: -852.272008 where: bonds (distance) C4'-P energy: -151.064 bonds (distance) P-C4' energy: -166.709 flat angles C4'-P-C4' energy: -170.136 flat angles P-C4'-P energy: -129.827 tors. eta vs tors. theta energy: -234.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2911.753549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.753549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.753549 (E_RNA) where: Base-Base interactions energy: -2090.504 where: short stacking energy: -855.479 Base-Backbone interact. energy: 3.658 local terms energy: -824.907044 where: bonds (distance) C4'-P energy: -141.464 bonds (distance) P-C4' energy: -157.752 flat angles C4'-P-C4' energy: -184.500 flat angles P-C4'-P energy: -117.158 tors. eta vs tors. theta energy: -224.033 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: 286 Temperature: 1.000000 Total energy: -2840.236575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.236575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.236575 (E_RNA) where: Base-Base interactions energy: -2030.250 where: short stacking energy: -849.646 Base-Backbone interact. energy: -2.400 local terms energy: -807.586365 where: bonds (distance) C4'-P energy: -147.934 bonds (distance) P-C4' energy: -145.791 flat angles C4'-P-C4' energy: -165.344 flat angles P-C4'-P energy: -129.141 tors. eta vs tors. theta energy: -219.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2737.688577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.688577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.688577 (E_RNA) where: Base-Base interactions energy: -1942.801 where: short stacking energy: -812.462 Base-Backbone interact. energy: -2.810 local terms energy: -792.078401 where: bonds (distance) C4'-P energy: -152.288 bonds (distance) P-C4' energy: -144.497 flat angles C4'-P-C4' energy: -171.288 flat angles P-C4'-P energy: -101.020 tors. eta vs tors. theta energy: -222.985 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: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2601.594825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.594825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.594825 (E_RNA) where: Base-Base interactions energy: -1840.759 where: short stacking energy: -756.097 Base-Backbone interact. energy: -8.014 local terms energy: -752.821725 where: bonds (distance) C4'-P energy: -132.849 bonds (distance) P-C4' energy: -132.038 flat angles C4'-P-C4' energy: -177.139 flat angles P-C4'-P energy: -107.260 tors. eta vs tors. theta energy: -203.536 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: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2479.384060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.384060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.384060 (E_RNA) where: Base-Base interactions energy: -1760.315 where: short stacking energy: -744.275 Base-Backbone interact. energy: -3.445 local terms energy: -715.624609 where: bonds (distance) C4'-P energy: -120.372 bonds (distance) P-C4' energy: -125.693 flat angles C4'-P-C4' energy: -153.072 flat angles P-C4'-P energy: -114.498 tors. eta vs tors. theta energy: -201.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2273.020690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.020690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.020690 (E_RNA) where: Base-Base interactions energy: -1561.733 where: short stacking energy: -649.562 Base-Backbone interact. energy: -1.920 local terms energy: -709.367852 where: bonds (distance) C4'-P energy: -142.925 bonds (distance) P-C4' energy: -148.412 flat angles C4'-P-C4' energy: -159.772 flat angles P-C4'-P energy: -98.919 tors. eta vs tors. theta energy: -159.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -2043.495478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.495478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.495478 (E_RNA) where: Base-Base interactions energy: -1451.086 where: short stacking energy: -609.464 Base-Backbone interact. energy: -1.424 local terms energy: -590.985707 where: bonds (distance) C4'-P energy: -114.937 bonds (distance) P-C4' energy: -134.357 flat angles C4'-P-C4' energy: -122.474 flat angles P-C4'-P energy: -90.172 tors. eta vs tors. theta energy: -129.046 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: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1781.721059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.721059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.721059 (E_RNA) where: Base-Base interactions energy: -1180.692 where: short stacking energy: -511.514 Base-Backbone interact. energy: -0.353 local terms energy: -600.675930 where: bonds (distance) C4'-P energy: -137.915 bonds (distance) P-C4' energy: -123.492 flat angles C4'-P-C4' energy: -124.133 flat angles P-C4'-P energy: -89.000 tors. eta vs tors. theta energy: -126.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1319.011730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.011730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.011730 (E_RNA) where: Base-Base interactions energy: -822.178 where: short stacking energy: -384.998 Base-Backbone interact. energy: -4.458 local terms energy: -492.375808 where: bonds (distance) C4'-P energy: -116.004 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -123.497 flat angles P-C4'-P energy: -73.775 tors. eta vs tors. theta energy: -45.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2980.583523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.583523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.583523 (E_RNA) where: Base-Base interactions energy: -2128.926 where: short stacking energy: -890.366 Base-Backbone interact. energy: -1.762 local terms energy: -849.895580 where: bonds (distance) C4'-P energy: -145.355 bonds (distance) P-C4' energy: -160.770 flat angles C4'-P-C4' energy: -178.255 flat angles P-C4'-P energy: -126.678 tors. eta vs tors. theta energy: -238.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2885.444998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.444998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.444998 (E_RNA) where: Base-Base interactions energy: -2044.379 where: short stacking energy: -864.021 Base-Backbone interact. energy: 0.076 local terms energy: -841.141648 where: bonds (distance) C4'-P energy: -167.304 bonds (distance) P-C4' energy: -155.715 flat angles C4'-P-C4' energy: -181.391 flat angles P-C4'-P energy: -117.050 tors. eta vs tors. theta energy: -219.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2844.010278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.010278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.010278 (E_RNA) where: Base-Base interactions energy: -2027.513 where: short stacking energy: -852.604 Base-Backbone interact. energy: 2.362 local terms energy: -818.859143 where: bonds (distance) C4'-P energy: -156.521 bonds (distance) P-C4' energy: -139.496 flat angles C4'-P-C4' energy: -173.016 flat angles P-C4'-P energy: -120.731 tors. eta vs tors. theta energy: -229.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2732.717405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.717405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.717405 (E_RNA) where: Base-Base interactions energy: -1941.832 where: short stacking energy: -798.878 Base-Backbone interact. energy: 1.034 local terms energy: -791.919263 where: bonds (distance) C4'-P energy: -139.783 bonds (distance) P-C4' energy: -139.914 flat angles C4'-P-C4' energy: -180.129 flat angles P-C4'-P energy: -114.738 tors. eta vs tors. theta energy: -217.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2543.260417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.260417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.260417 (E_RNA) where: Base-Base interactions energy: -1800.721 where: short stacking energy: -718.782 Base-Backbone interact. energy: -7.326 local terms energy: -735.213442 where: bonds (distance) C4'-P energy: -140.873 bonds (distance) P-C4' energy: -135.795 flat angles C4'-P-C4' energy: -159.146 flat angles P-C4'-P energy: -121.797 tors. eta vs tors. theta energy: -177.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2567.367252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.367252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.367252 (E_RNA) where: Base-Base interactions energy: -1792.930 where: short stacking energy: -813.334 Base-Backbone interact. energy: -0.783 local terms energy: -773.654281 where: bonds (distance) C4'-P energy: -135.656 bonds (distance) P-C4' energy: -124.838 flat angles C4'-P-C4' energy: -175.907 flat angles P-C4'-P energy: -116.824 tors. eta vs tors. theta energy: -220.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2269.552917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.552917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.552917 (E_RNA) where: Base-Base interactions energy: -1595.920 where: short stacking energy: -675.324 Base-Backbone interact. energy: 1.537 local terms energy: -675.170685 where: bonds (distance) C4'-P energy: -152.759 bonds (distance) P-C4' energy: -140.173 flat angles C4'-P-C4' energy: -133.160 flat angles P-C4'-P energy: -93.136 tors. eta vs tors. theta energy: -155.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -2052.021166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.021166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.021166 (E_RNA) where: Base-Base interactions energy: -1411.746 where: short stacking energy: -603.835 Base-Backbone interact. energy: -0.504 local terms energy: -639.770640 where: bonds (distance) C4'-P energy: -112.478 bonds (distance) P-C4' energy: -140.645 flat angles C4'-P-C4' energy: -152.964 flat angles P-C4'-P energy: -100.752 tors. eta vs tors. theta energy: -132.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1686.466731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.466731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.466731 (E_RNA) where: Base-Base interactions energy: -1122.781 where: short stacking energy: -488.225 Base-Backbone interact. energy: 2.196 local terms energy: -565.882229 where: bonds (distance) C4'-P energy: -136.814 bonds (distance) P-C4' energy: -128.831 flat angles C4'-P-C4' energy: -143.747 flat angles P-C4'-P energy: -70.133 tors. eta vs tors. theta energy: -86.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1321.338276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.338276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.338276 (E_RNA) where: Base-Base interactions energy: -804.742 where: short stacking energy: -375.946 Base-Backbone interact. energy: 4.383 local terms energy: -520.979234 where: bonds (distance) C4'-P energy: -131.141 bonds (distance) P-C4' energy: -146.719 flat angles C4'-P-C4' energy: -138.124 flat angles P-C4'-P energy: -59.499 tors. eta vs tors. theta energy: -45.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2961.891342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.891342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.891342 (E_RNA) where: Base-Base interactions energy: -2112.399 where: short stacking energy: -898.994 Base-Backbone interact. energy: -3.893 local terms energy: -845.599950 where: bonds (distance) C4'-P energy: -151.174 bonds (distance) P-C4' energy: -154.775 flat angles C4'-P-C4' energy: -186.629 flat angles P-C4'-P energy: -117.643 tors. eta vs tors. theta energy: -235.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2891.612377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.612377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.612377 (E_RNA) where: Base-Base interactions energy: -2034.814 where: short stacking energy: -862.830 Base-Backbone interact. energy: -4.904 local terms energy: -851.893913 where: bonds (distance) C4'-P energy: -172.692 bonds (distance) P-C4' energy: -150.030 flat angles C4'-P-C4' energy: -193.615 flat angles P-C4'-P energy: -123.348 tors. eta vs tors. theta energy: -212.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2791.360450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.360450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.360450 (E_RNA) where: Base-Base interactions energy: -1993.191 where: short stacking energy: -830.730 Base-Backbone interact. energy: -5.606 local terms energy: -792.563197 where: bonds (distance) C4'-P energy: -142.522 bonds (distance) P-C4' energy: -157.236 flat angles C4'-P-C4' energy: -170.419 flat angles P-C4'-P energy: -104.936 tors. eta vs tors. theta energy: -217.450 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: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2734.184744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.184744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.184744 (E_RNA) where: Base-Base interactions energy: -1970.322 where: short stacking energy: -838.600 Base-Backbone interact. energy: -2.329 local terms energy: -761.534328 where: bonds (distance) C4'-P energy: -148.556 bonds (distance) P-C4' energy: -125.934 flat angles C4'-P-C4' energy: -172.158 flat angles P-C4'-P energy: -92.672 tors. eta vs tors. theta energy: -222.215 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: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2556.623611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.623611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.623611 (E_RNA) where: Base-Base interactions energy: -1816.750 where: short stacking energy: -731.252 Base-Backbone interact. energy: -7.138 local terms energy: -732.735188 where: bonds (distance) C4'-P energy: -141.110 bonds (distance) P-C4' energy: -157.421 flat angles C4'-P-C4' energy: -161.187 flat angles P-C4'-P energy: -87.540 tors. eta vs tors. theta energy: -185.476 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: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2563.728969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.728969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.728969 (E_RNA) where: Base-Base interactions energy: -1796.704 where: short stacking energy: -779.374 Base-Backbone interact. energy: 0.189 local terms energy: -767.214122 where: bonds (distance) C4'-P energy: -128.860 bonds (distance) P-C4' energy: -153.811 flat angles C4'-P-C4' energy: -161.950 flat angles P-C4'-P energy: -96.214 tors. eta vs tors. theta energy: -226.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2172.053655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.053655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.053655 (E_RNA) where: Base-Base interactions energy: -1509.766 where: short stacking energy: -633.016 Base-Backbone interact. energy: -3.082 local terms energy: -659.205878 where: bonds (distance) C4'-P energy: -139.088 bonds (distance) P-C4' energy: -132.228 flat angles C4'-P-C4' energy: -141.335 flat angles P-C4'-P energy: -100.381 tors. eta vs tors. theta energy: -146.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -2079.289052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.289052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.289052 (E_RNA) where: Base-Base interactions energy: -1455.127 where: short stacking energy: -626.903 Base-Backbone interact. energy: -3.138 local terms energy: -621.023938 where: bonds (distance) C4'-P energy: -122.031 bonds (distance) P-C4' energy: -130.704 flat angles C4'-P-C4' energy: -142.118 flat angles P-C4'-P energy: -91.001 tors. eta vs tors. theta energy: -135.170 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: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1646.959302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.959302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.959302 (E_RNA) where: Base-Base interactions energy: -1098.204 where: short stacking energy: -488.060 Base-Backbone interact. energy: 2.521 local terms energy: -551.276141 where: bonds (distance) C4'-P energy: -108.874 bonds (distance) P-C4' energy: -127.498 flat angles C4'-P-C4' energy: -132.965 flat angles P-C4'-P energy: -89.946 tors. eta vs tors. theta energy: -91.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1373.450564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.450564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.450564 (E_RNA) where: Base-Base interactions energy: -870.990 where: short stacking energy: -410.634 Base-Backbone interact. energy: -2.738 local terms energy: -499.722893 where: bonds (distance) C4'-P energy: -129.815 bonds (distance) P-C4' energy: -109.223 flat angles C4'-P-C4' energy: -101.810 flat angles P-C4'-P energy: -94.898 tors. eta vs tors. theta energy: -63.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2961.093863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.093863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.093863 (E_RNA) where: Base-Base interactions energy: -2116.404 where: short stacking energy: -859.425 Base-Backbone interact. energy: -6.358 local terms energy: -838.330877 where: bonds (distance) C4'-P energy: -151.236 bonds (distance) P-C4' energy: -159.088 flat angles C4'-P-C4' energy: -182.938 flat angles P-C4'-P energy: -109.187 tors. eta vs tors. theta energy: -235.883 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: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2874.186866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.186866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.186866 (E_RNA) where: Base-Base interactions energy: -2028.998 where: short stacking energy: -851.091 Base-Backbone interact. energy: -2.660 local terms energy: -842.528993 where: bonds (distance) C4'-P energy: -153.521 bonds (distance) P-C4' energy: -171.128 flat angles C4'-P-C4' energy: -175.550 flat angles P-C4'-P energy: -121.603 tors. eta vs tors. theta energy: -220.726 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: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2801.425064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.425064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.425064 (E_RNA) where: Base-Base interactions energy: -1981.571 where: short stacking energy: -840.054 Base-Backbone interact. energy: 2.790 local terms energy: -822.644917 where: bonds (distance) C4'-P energy: -142.528 bonds (distance) P-C4' energy: -167.989 flat angles C4'-P-C4' energy: -165.952 flat angles P-C4'-P energy: -130.897 tors. eta vs tors. theta energy: -215.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2774.971722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.971722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.971722 (E_RNA) where: Base-Base interactions energy: -1916.071 where: short stacking energy: -828.460 Base-Backbone interact. energy: -2.276 local terms energy: -856.624726 where: bonds (distance) C4'-P energy: -146.675 bonds (distance) P-C4' energy: -151.996 flat angles C4'-P-C4' energy: -198.374 flat angles P-C4'-P energy: -123.330 tors. eta vs tors. theta energy: -236.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2557.085938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.085938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.085938 (E_RNA) where: Base-Base interactions energy: -1794.702 where: short stacking energy: -742.244 Base-Backbone interact. energy: -2.233 local terms energy: -760.151058 where: bonds (distance) C4'-P energy: -144.205 bonds (distance) P-C4' energy: -142.315 flat angles C4'-P-C4' energy: -166.028 flat angles P-C4'-P energy: -118.764 tors. eta vs tors. theta energy: -188.839 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: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2518.846653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.846653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.846653 (E_RNA) where: Base-Base interactions energy: -1748.372 where: short stacking energy: -773.559 Base-Backbone interact. energy: -3.034 local terms energy: -767.440850 where: bonds (distance) C4'-P energy: -133.538 bonds (distance) P-C4' energy: -147.554 flat angles C4'-P-C4' energy: -161.417 flat angles P-C4'-P energy: -109.572 tors. eta vs tors. theta energy: -215.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2145.739288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.739288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.739288 (E_RNA) where: Base-Base interactions energy: -1527.019 where: short stacking energy: -625.094 Base-Backbone interact. energy: 0.910 local terms energy: -619.630865 where: bonds (distance) C4'-P energy: -141.594 bonds (distance) P-C4' energy: -135.178 flat angles C4'-P-C4' energy: -150.632 flat angles P-C4'-P energy: -80.003 tors. eta vs tors. theta energy: -112.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -2151.688525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.688525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.688525 (E_RNA) where: Base-Base interactions energy: -1501.397 where: short stacking energy: -666.417 Base-Backbone interact. energy: -3.320 local terms energy: -646.971400 where: bonds (distance) C4'-P energy: -128.628 bonds (distance) P-C4' energy: -126.019 flat angles C4'-P-C4' energy: -145.369 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -145.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1737.755950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.755950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.755950 (E_RNA) where: Base-Base interactions energy: -1166.640 where: short stacking energy: -521.504 Base-Backbone interact. energy: -0.515 local terms energy: -570.600981 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -130.316 flat angles C4'-P-C4' energy: -118.286 flat angles P-C4'-P energy: -92.250 tors. eta vs tors. theta energy: -105.932 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: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1377.583721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.583721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.583721 (E_RNA) where: Base-Base interactions energy: -886.403 where: short stacking energy: -438.639 Base-Backbone interact. energy: -3.423 local terms energy: -487.757056 where: bonds (distance) C4'-P energy: -119.462 bonds (distance) P-C4' energy: -123.931 flat angles C4'-P-C4' energy: -117.583 flat angles P-C4'-P energy: -67.306 tors. eta vs tors. theta energy: -59.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2984.776991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.776991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.776991 (E_RNA) where: Base-Base interactions energy: -2133.005 where: short stacking energy: -895.442 Base-Backbone interact. energy: -1.183 local terms energy: -850.588550 where: bonds (distance) C4'-P energy: -155.232 bonds (distance) P-C4' energy: -144.842 flat angles C4'-P-C4' energy: -183.904 flat angles P-C4'-P energy: -121.622 tors. eta vs tors. theta energy: -244.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2899.941838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.941838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.941838 (E_RNA) where: Base-Base interactions energy: -2082.990 where: short stacking energy: -863.537 Base-Backbone interact. energy: -4.680 local terms energy: -812.271558 where: bonds (distance) C4'-P energy: -141.457 bonds (distance) P-C4' energy: -160.770 flat angles C4'-P-C4' energy: -172.160 flat angles P-C4'-P energy: -111.962 tors. eta vs tors. theta energy: -225.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2818.483194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.483194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.483194 (E_RNA) where: Base-Base interactions energy: -2028.175 where: short stacking energy: -842.874 Base-Backbone interact. energy: -2.557 local terms energy: -787.750856 where: bonds (distance) C4'-P energy: -141.017 bonds (distance) P-C4' energy: -135.991 flat angles C4'-P-C4' energy: -180.628 flat angles P-C4'-P energy: -118.840 tors. eta vs tors. theta energy: -211.276 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: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2771.387124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.387124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.387124 (E_RNA) where: Base-Base interactions energy: -1971.823 where: short stacking energy: -853.531 Base-Backbone interact. energy: -2.047 local terms energy: -797.517380 where: bonds (distance) C4'-P energy: -136.585 bonds (distance) P-C4' energy: -151.259 flat angles C4'-P-C4' energy: -180.127 flat angles P-C4'-P energy: -114.556 tors. eta vs tors. theta energy: -214.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2578.491282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.491282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.491282 (E_RNA) where: Base-Base interactions energy: -1873.070 where: short stacking energy: -789.335 Base-Backbone interact. energy: 1.294 local terms energy: -706.715233 where: bonds (distance) C4'-P energy: -125.601 bonds (distance) P-C4' energy: -130.036 flat angles C4'-P-C4' energy: -159.995 flat angles P-C4'-P energy: -90.170 tors. eta vs tors. theta energy: -200.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2465.933723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.933723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.933723 (E_RNA) where: Base-Base interactions energy: -1730.831 where: short stacking energy: -753.770 Base-Backbone interact. energy: 2.850 local terms energy: -737.952098 where: bonds (distance) C4'-P energy: -123.699 bonds (distance) P-C4' energy: -139.524 flat angles C4'-P-C4' energy: -159.771 flat angles P-C4'-P energy: -104.332 tors. eta vs tors. theta energy: -210.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2195.940259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.940259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.940259 (E_RNA) where: Base-Base interactions energy: -1552.046 where: short stacking energy: -616.198 Base-Backbone interact. energy: -0.195 local terms energy: -643.699729 where: bonds (distance) C4'-P energy: -129.361 bonds (distance) P-C4' energy: -139.012 flat angles C4'-P-C4' energy: -146.557 flat angles P-C4'-P energy: -98.205 tors. eta vs tors. theta energy: -130.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -2092.188059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.188059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.188059 (E_RNA) where: Base-Base interactions energy: -1465.389 where: short stacking energy: -607.428 Base-Backbone interact. energy: -3.944 local terms energy: -622.855680 where: bonds (distance) C4'-P energy: -125.719 bonds (distance) P-C4' energy: -126.136 flat angles C4'-P-C4' energy: -144.412 flat angles P-C4'-P energy: -85.532 tors. eta vs tors. theta energy: -141.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1757.806495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.806495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.806495 (E_RNA) where: Base-Base interactions energy: -1193.662 where: short stacking energy: -512.679 Base-Backbone interact. energy: -0.831 local terms energy: -563.313988 where: bonds (distance) C4'-P energy: -132.603 bonds (distance) P-C4' energy: -127.487 flat angles C4'-P-C4' energy: -137.902 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -95.579 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: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1361.268046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.268046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.268046 (E_RNA) where: Base-Base interactions energy: -835.765 where: short stacking energy: -397.446 Base-Backbone interact. energy: -3.152 local terms energy: -522.351021 where: bonds (distance) C4'-P energy: -129.285 bonds (distance) P-C4' energy: -125.557 flat angles C4'-P-C4' energy: -124.551 flat angles P-C4'-P energy: -73.729 tors. eta vs tors. theta energy: -69.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2990.474900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.474900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.474900 (E_RNA) where: Base-Base interactions energy: -2103.219 where: short stacking energy: -884.865 Base-Backbone interact. energy: -3.707 local terms energy: -883.548630 where: bonds (distance) C4'-P energy: -166.692 bonds (distance) P-C4' energy: -169.207 flat angles C4'-P-C4' energy: -188.674 flat angles P-C4'-P energy: -125.948 tors. eta vs tors. theta energy: -233.028 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: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2890.545506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.545506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.545506 (E_RNA) where: Base-Base interactions energy: -2075.552 where: short stacking energy: -853.950 Base-Backbone interact. energy: -2.004 local terms energy: -812.990074 where: bonds (distance) C4'-P energy: -166.772 bonds (distance) P-C4' energy: -147.073 flat angles C4'-P-C4' energy: -179.086 flat angles P-C4'-P energy: -107.118 tors. eta vs tors. theta energy: -212.942 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: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2789.564929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.564929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.564929 (E_RNA) where: Base-Base interactions energy: -2018.326 where: short stacking energy: -827.130 Base-Backbone interact. energy: -0.394 local terms energy: -770.844421 where: bonds (distance) C4'-P energy: -144.143 bonds (distance) P-C4' energy: -141.855 flat angles C4'-P-C4' energy: -172.919 flat angles P-C4'-P energy: -108.002 tors. eta vs tors. theta energy: -203.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2782.262526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.262526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.262526 (E_RNA) where: Base-Base interactions energy: -1953.638 where: short stacking energy: -835.911 Base-Backbone interact. energy: -2.224 local terms energy: -826.399624 where: bonds (distance) C4'-P energy: -150.453 bonds (distance) P-C4' energy: -152.352 flat angles C4'-P-C4' energy: -176.475 flat angles P-C4'-P energy: -123.057 tors. eta vs tors. theta energy: -224.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2575.048258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.048258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.048258 (E_RNA) where: Base-Base interactions energy: -1813.220 where: short stacking energy: -758.981 Base-Backbone interact. energy: -3.183 local terms energy: -758.645234 where: bonds (distance) C4'-P energy: -154.352 bonds (distance) P-C4' energy: -133.595 flat angles C4'-P-C4' energy: -173.159 flat angles P-C4'-P energy: -91.384 tors. eta vs tors. theta energy: -206.155 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: 6, replica: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2490.226852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.226852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.226852 (E_RNA) where: Base-Base interactions energy: -1718.154 where: short stacking energy: -733.812 Base-Backbone interact. energy: -2.089 local terms energy: -769.984142 where: bonds (distance) C4'-P energy: -133.142 bonds (distance) P-C4' energy: -159.816 flat angles C4'-P-C4' energy: -154.684 flat angles P-C4'-P energy: -108.171 tors. eta vs tors. theta energy: -214.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2231.163758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.163758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.163758 (E_RNA) where: Base-Base interactions energy: -1593.884 where: short stacking energy: -663.468 Base-Backbone interact. energy: -4.042 local terms energy: -633.237419 where: bonds (distance) C4'-P energy: -121.196 bonds (distance) P-C4' energy: -138.119 flat angles C4'-P-C4' energy: -147.103 flat angles P-C4'-P energy: -84.550 tors. eta vs tors. theta energy: -142.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -2104.424225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.424225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.424225 (E_RNA) where: Base-Base interactions energy: -1467.195 where: short stacking energy: -620.211 Base-Backbone interact. energy: 0.715 local terms energy: -637.944426 where: bonds (distance) C4'-P energy: -123.494 bonds (distance) P-C4' energy: -132.211 flat angles C4'-P-C4' energy: -150.080 flat angles P-C4'-P energy: -90.286 tors. eta vs tors. theta energy: -141.874 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1799.300842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.300842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.300842 (E_RNA) where: Base-Base interactions energy: -1225.742 where: short stacking energy: -531.840 Base-Backbone interact. energy: -2.891 local terms energy: -570.667911 where: bonds (distance) C4'-P energy: -127.286 bonds (distance) P-C4' energy: -114.864 flat angles C4'-P-C4' energy: -133.632 flat angles P-C4'-P energy: -79.459 tors. eta vs tors. theta energy: -115.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1414.125287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.125287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.125287 (E_RNA) where: Base-Base interactions energy: -868.488 where: short stacking energy: -414.694 Base-Backbone interact. energy: -0.121 local terms energy: -545.516595 where: bonds (distance) C4'-P energy: -127.293 bonds (distance) P-C4' energy: -133.630 flat angles C4'-P-C4' energy: -126.684 flat angles P-C4'-P energy: -82.323 tors. eta vs tors. theta energy: -75.587 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: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2990.852130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.852130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.852130 (E_RNA) where: Base-Base interactions energy: -2139.555 where: short stacking energy: -895.798 Base-Backbone interact. energy: -2.795 local terms energy: -848.502295 where: bonds (distance) C4'-P energy: -155.345 bonds (distance) P-C4' energy: -148.994 flat angles C4'-P-C4' energy: -185.048 flat angles P-C4'-P energy: -124.862 tors. eta vs tors. theta energy: -234.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2908.289181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.289181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.289181 (E_RNA) where: Base-Base interactions energy: -2067.828 where: short stacking energy: -882.819 Base-Backbone interact. energy: -2.199 local terms energy: -838.262041 where: bonds (distance) C4'-P energy: -161.580 bonds (distance) P-C4' energy: -156.711 flat angles C4'-P-C4' energy: -180.091 flat angles P-C4'-P energy: -115.507 tors. eta vs tors. theta energy: -224.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2831.910564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.910564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.910564 (E_RNA) where: Base-Base interactions energy: -2022.811 where: short stacking energy: -832.553 Base-Backbone interact. energy: 0.145 local terms energy: -809.244104 where: bonds (distance) C4'-P energy: -158.419 bonds (distance) P-C4' energy: -157.030 flat angles C4'-P-C4' energy: -167.893 flat angles P-C4'-P energy: -115.644 tors. eta vs tors. theta energy: -210.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2762.882482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.882482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.882482 (E_RNA) where: Base-Base interactions energy: -1963.046 where: short stacking energy: -818.295 Base-Backbone interact. energy: -1.853 local terms energy: -797.982988 where: bonds (distance) C4'-P energy: -154.616 bonds (distance) P-C4' energy: -158.127 flat angles C4'-P-C4' energy: -161.852 flat angles P-C4'-P energy: -103.754 tors. eta vs tors. theta energy: -219.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2599.185218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.185218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.185218 (E_RNA) where: Base-Base interactions energy: -1876.971 where: short stacking energy: -780.279 Base-Backbone interact. energy: -3.472 local terms energy: -718.742381 where: bonds (distance) C4'-P energy: -129.306 bonds (distance) P-C4' energy: -120.781 flat angles C4'-P-C4' energy: -164.144 flat angles P-C4'-P energy: -108.711 tors. eta vs tors. theta energy: -195.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2524.011498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.011498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.011498 (E_RNA) where: Base-Base interactions energy: -1785.351 where: short stacking energy: -800.569 Base-Backbone interact. energy: -5.367 local terms energy: -733.293847 where: bonds (distance) C4'-P energy: -121.690 bonds (distance) P-C4' energy: -139.801 flat angles C4'-P-C4' energy: -157.278 flat angles P-C4'-P energy: -88.014 tors. eta vs tors. theta energy: -226.510 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: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2228.967814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.967814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.967814 (E_RNA) where: Base-Base interactions energy: -1568.820 where: short stacking energy: -648.717 Base-Backbone interact. energy: 1.080 local terms energy: -661.228259 where: bonds (distance) C4'-P energy: -130.738 bonds (distance) P-C4' energy: -143.003 flat angles C4'-P-C4' energy: -151.856 flat angles P-C4'-P energy: -87.461 tors. eta vs tors. theta energy: -148.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -2149.067558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.067558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.067558 (E_RNA) where: Base-Base interactions energy: -1491.362 where: short stacking energy: -635.497 Base-Backbone interact. energy: 0.010 local terms energy: -657.715652 where: bonds (distance) C4'-P energy: -110.580 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -160.517 flat angles P-C4'-P energy: -89.237 tors. eta vs tors. theta energy: -151.982 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: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1763.047019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.047019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.047019 (E_RNA) where: Base-Base interactions energy: -1165.918 where: short stacking energy: -521.886 Base-Backbone interact. energy: 1.919 local terms energy: -599.047924 where: bonds (distance) C4'-P energy: -130.132 bonds (distance) P-C4' energy: -129.026 flat angles C4'-P-C4' energy: -149.304 flat angles P-C4'-P energy: -77.883 tors. eta vs tors. theta energy: -112.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1431.701376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.701376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.701376 (E_RNA) where: Base-Base interactions energy: -913.062 where: short stacking energy: -438.056 Base-Backbone interact. energy: 3.888 local terms energy: -522.528046 where: bonds (distance) C4'-P energy: -121.105 bonds (distance) P-C4' energy: -129.849 flat angles C4'-P-C4' energy: -126.976 flat angles P-C4'-P energy: -68.851 tors. eta vs tors. theta energy: -75.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2978.760352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.760352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.760352 (E_RNA) where: Base-Base interactions energy: -2101.468 where: short stacking energy: -898.201 Base-Backbone interact. energy: -4.140 local terms energy: -873.152801 where: bonds (distance) C4'-P energy: -167.407 bonds (distance) P-C4' energy: -151.034 flat angles C4'-P-C4' energy: -182.442 flat angles P-C4'-P energy: -134.015 tors. eta vs tors. theta energy: -238.255 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: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2900.398508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.398508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.398508 (E_RNA) where: Base-Base interactions energy: -2045.665 where: short stacking energy: -871.337 Base-Backbone interact. energy: -6.061 local terms energy: -848.672347 where: bonds (distance) C4'-P energy: -146.252 bonds (distance) P-C4' energy: -168.245 flat angles C4'-P-C4' energy: -181.435 flat angles P-C4'-P energy: -130.823 tors. eta vs tors. theta energy: -221.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2845.407040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.407040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.407040 (E_RNA) where: Base-Base interactions energy: -2016.712 where: short stacking energy: -823.750 Base-Backbone interact. energy: -3.152 local terms energy: -825.543384 where: bonds (distance) C4'-P energy: -156.527 bonds (distance) P-C4' energy: -160.810 flat angles C4'-P-C4' energy: -182.737 flat angles P-C4'-P energy: -104.683 tors. eta vs tors. theta energy: -220.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2760.690621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.690621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.690621 (E_RNA) where: Base-Base interactions energy: -1935.429 where: short stacking energy: -825.703 Base-Backbone interact. energy: -2.178 local terms energy: -823.083869 where: bonds (distance) C4'-P energy: -153.917 bonds (distance) P-C4' energy: -134.632 flat angles C4'-P-C4' energy: -181.006 flat angles P-C4'-P energy: -132.892 tors. eta vs tors. theta energy: -220.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2610.781126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.781126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.781126 (E_RNA) where: Base-Base interactions energy: -1881.739 where: short stacking energy: -783.478 Base-Backbone interact. energy: -3.374 local terms energy: -725.667703 where: bonds (distance) C4'-P energy: -142.028 bonds (distance) P-C4' energy: -142.024 flat angles C4'-P-C4' energy: -152.226 flat angles P-C4'-P energy: -96.327 tors. eta vs tors. theta energy: -193.062 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: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2553.671208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.671208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.671208 (E_RNA) where: Base-Base interactions energy: -1784.565 where: short stacking energy: -798.229 Base-Backbone interact. energy: -3.211 local terms energy: -765.894955 where: bonds (distance) C4'-P energy: -143.705 bonds (distance) P-C4' energy: -139.075 flat angles C4'-P-C4' energy: -158.194 flat angles P-C4'-P energy: -95.142 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: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2294.699133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.699133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.699133 (E_RNA) where: Base-Base interactions energy: -1617.795 where: short stacking energy: -685.987 Base-Backbone interact. energy: -4.065 local terms energy: -672.839052 where: bonds (distance) C4'-P energy: -132.950 bonds (distance) P-C4' energy: -123.172 flat angles C4'-P-C4' energy: -150.991 flat angles P-C4'-P energy: -86.867 tors. eta vs tors. theta energy: -178.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -2166.929566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.929566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.929566 (E_RNA) where: Base-Base interactions energy: -1515.711 where: short stacking energy: -623.744 Base-Backbone interact. energy: 0.408 local terms energy: -651.627243 where: bonds (distance) C4'-P energy: -133.024 bonds (distance) P-C4' energy: -129.064 flat angles C4'-P-C4' energy: -145.251 flat angles P-C4'-P energy: -96.125 tors. eta vs tors. theta energy: -148.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1762.151019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.151019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.151019 (E_RNA) where: Base-Base interactions energy: -1181.691 where: short stacking energy: -540.635 Base-Backbone interact. energy: 6.776 local terms energy: -587.235177 where: bonds (distance) C4'-P energy: -126.124 bonds (distance) P-C4' energy: -132.881 flat angles C4'-P-C4' energy: -142.107 flat angles P-C4'-P energy: -70.756 tors. eta vs tors. theta energy: -115.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1412.115686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.115686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.115686 (E_RNA) where: Base-Base interactions energy: -912.873 where: short stacking energy: -425.504 Base-Backbone interact. energy: 2.643 local terms energy: -501.885435 where: bonds (distance) C4'-P energy: -100.655 bonds (distance) P-C4' energy: -139.641 flat angles C4'-P-C4' energy: -113.044 flat angles P-C4'-P energy: -96.465 tors. eta vs tors. theta energy: -52.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3009.788385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.788385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.788385 (E_RNA) where: Base-Base interactions energy: -2135.836 where: short stacking energy: -877.252 Base-Backbone interact. energy: 1.025 local terms energy: -874.977071 where: bonds (distance) C4'-P energy: -163.472 bonds (distance) P-C4' energy: -158.550 flat angles C4'-P-C4' energy: -194.094 flat angles P-C4'-P energy: -126.887 tors. eta vs tors. theta energy: -231.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2940.212025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.212025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.212025 (E_RNA) where: Base-Base interactions energy: -2102.757 where: short stacking energy: -895.459 Base-Backbone interact. energy: -2.846 local terms energy: -834.608330 where: bonds (distance) C4'-P energy: -165.089 bonds (distance) P-C4' energy: -127.879 flat angles C4'-P-C4' energy: -178.545 flat angles P-C4'-P energy: -122.798 tors. eta vs tors. theta energy: -240.296 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: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2775.440894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.440894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.440894 (E_RNA) where: Base-Base interactions energy: -1995.453 where: short stacking energy: -807.632 Base-Backbone interact. energy: -3.580 local terms energy: -776.407922 where: bonds (distance) C4'-P energy: -129.923 bonds (distance) P-C4' energy: -155.137 flat angles C4'-P-C4' energy: -186.044 flat angles P-C4'-P energy: -103.016 tors. eta vs tors. theta energy: -202.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2759.796180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.796180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.796180 (E_RNA) where: Base-Base interactions energy: -1960.245 where: short stacking energy: -841.200 Base-Backbone interact. energy: -3.564 local terms energy: -795.986979 where: bonds (distance) C4'-P energy: -142.357 bonds (distance) P-C4' energy: -141.555 flat angles C4'-P-C4' energy: -173.313 flat angles P-C4'-P energy: -112.629 tors. eta vs tors. theta energy: -226.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2616.506734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.506734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.506734 (E_RNA) where: Base-Base interactions energy: -1869.077 where: short stacking energy: -817.077 Base-Backbone interact. energy: -2.320 local terms energy: -745.110397 where: bonds (distance) C4'-P energy: -129.166 bonds (distance) P-C4' energy: -141.647 flat angles C4'-P-C4' energy: -154.626 flat angles P-C4'-P energy: -104.592 tors. eta vs tors. theta energy: -215.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2531.620367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.620367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.620367 (E_RNA) where: Base-Base interactions energy: -1839.651 where: short stacking energy: -752.519 Base-Backbone interact. energy: -3.112 local terms energy: -688.857983 where: bonds (distance) C4'-P energy: -114.211 bonds (distance) P-C4' energy: -142.438 flat angles C4'-P-C4' energy: -132.535 flat angles P-C4'-P energy: -98.553 tors. eta vs tors. theta energy: -201.122 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: 294 Temperature: 1.200000 Total energy: -2267.003433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.003433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.003433 (E_RNA) where: Base-Base interactions energy: -1606.330 where: short stacking energy: -676.690 Base-Backbone interact. energy: -3.724 local terms energy: -656.948794 where: bonds (distance) C4'-P energy: -125.899 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -142.518 flat angles P-C4'-P energy: -91.146 tors. eta vs tors. theta energy: -153.189 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: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -2152.762307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.762307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.762307 (E_RNA) where: Base-Base interactions energy: -1485.869 where: short stacking energy: -653.461 Base-Backbone interact. energy: -2.538 local terms energy: -664.355095 where: bonds (distance) C4'-P energy: -120.409 bonds (distance) P-C4' energy: -127.221 flat angles C4'-P-C4' energy: -166.013 flat angles P-C4'-P energy: -103.155 tors. eta vs tors. theta energy: -147.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1711.134216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.134216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.134216 (E_RNA) where: Base-Base interactions energy: -1154.467 where: short stacking energy: -496.957 Base-Backbone interact. energy: 8.499 local terms energy: -565.166200 where: bonds (distance) C4'-P energy: -125.375 bonds (distance) P-C4' energy: -147.364 flat angles C4'-P-C4' energy: -132.030 flat angles P-C4'-P energy: -69.667 tors. eta vs tors. theta energy: -90.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1388.526340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.526340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.526340 (E_RNA) where: Base-Base interactions energy: -862.892 where: short stacking energy: -412.543 Base-Backbone interact. energy: -1.205 local terms energy: -524.428639 where: bonds (distance) C4'-P energy: -132.263 bonds (distance) P-C4' energy: -132.172 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -64.774 tors. eta vs tors. theta energy: -53.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2974.410435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.410435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.410435 (E_RNA) where: Base-Base interactions energy: -2091.012 where: short stacking energy: -862.571 Base-Backbone interact. energy: -5.083 local terms energy: -878.316121 where: bonds (distance) C4'-P energy: -159.391 bonds (distance) P-C4' energy: -166.000 flat angles C4'-P-C4' energy: -184.734 flat angles P-C4'-P energy: -132.819 tors. eta vs tors. theta energy: -235.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2912.919398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.919398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.919398 (E_RNA) where: Base-Base interactions energy: -2081.967 where: short stacking energy: -873.685 Base-Backbone interact. energy: -4.313 local terms energy: -826.639814 where: bonds (distance) C4'-P energy: -141.210 bonds (distance) P-C4' energy: -147.039 flat angles C4'-P-C4' energy: -186.342 flat angles P-C4'-P energy: -123.287 tors. eta vs tors. theta energy: -228.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2772.592858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.592858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.592858 (E_RNA) where: Base-Base interactions energy: -1981.626 where: short stacking energy: -819.214 Base-Backbone interact. energy: -4.706 local terms energy: -786.260576 where: bonds (distance) C4'-P energy: -142.805 bonds (distance) P-C4' energy: -148.604 flat angles C4'-P-C4' energy: -176.762 flat angles P-C4'-P energy: -112.403 tors. eta vs tors. theta energy: -205.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2777.422877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.422877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.422877 (E_RNA) where: Base-Base interactions energy: -1991.205 where: short stacking energy: -853.107 Base-Backbone interact. energy: -2.865 local terms energy: -783.352867 where: bonds (distance) C4'-P energy: -143.463 bonds (distance) P-C4' energy: -137.215 flat angles C4'-P-C4' energy: -166.196 flat angles P-C4'-P energy: -108.201 tors. eta vs tors. theta energy: -228.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2630.217236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.217236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.217236 (E_RNA) where: Base-Base interactions energy: -1847.566 where: short stacking energy: -795.026 Base-Backbone interact. energy: 5.183 local terms energy: -787.834517 where: bonds (distance) C4'-P energy: -136.173 bonds (distance) P-C4' energy: -136.227 flat angles C4'-P-C4' energy: -169.792 flat angles P-C4'-P energy: -126.770 tors. eta vs tors. theta energy: -218.873 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: 10 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2476.495990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.495990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.495990 (E_RNA) where: Base-Base interactions energy: -1788.130 where: short stacking energy: -727.220 Base-Backbone interact. energy: -1.620 local terms energy: -686.746062 where: bonds (distance) C4'-P energy: -119.486 bonds (distance) P-C4' energy: -134.509 flat angles C4'-P-C4' energy: -155.106 flat angles P-C4'-P energy: -101.132 tors. eta vs tors. theta energy: -176.512 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: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2272.841192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.841192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.841192 (E_RNA) where: Base-Base interactions energy: -1602.708 where: short stacking energy: -659.036 Base-Backbone interact. energy: -3.827 local terms energy: -666.306000 where: bonds (distance) C4'-P energy: -123.880 bonds (distance) P-C4' energy: -141.848 flat angles C4'-P-C4' energy: -146.065 flat angles P-C4'-P energy: -105.493 tors. eta vs tors. theta energy: -149.020 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: 295 Temperature: 1.250000 Total energy: -2106.127025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.127025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.127025 (E_RNA) where: Base-Base interactions energy: -1481.962 where: short stacking energy: -639.045 Base-Backbone interact. energy: 0.425 local terms energy: -624.590047 where: bonds (distance) C4'-P energy: -124.433 bonds (distance) P-C4' energy: -128.543 flat angles C4'-P-C4' energy: -140.425 flat angles P-C4'-P energy: -93.093 tors. eta vs tors. theta energy: -138.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1686.967592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.967592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.967592 (E_RNA) where: Base-Base interactions energy: -1142.315 where: short stacking energy: -489.217 Base-Backbone interact. energy: 0.876 local terms energy: -545.528579 where: bonds (distance) C4'-P energy: -117.740 bonds (distance) P-C4' energy: -130.128 flat angles C4'-P-C4' energy: -134.531 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -77.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1434.846840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.846840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.846840 (E_RNA) where: Base-Base interactions energy: -916.197 where: short stacking energy: -414.825 Base-Backbone interact. energy: 3.585 local terms energy: -522.235027 where: bonds (distance) C4'-P energy: -118.451 bonds (distance) P-C4' energy: -129.408 flat angles C4'-P-C4' energy: -126.422 flat angles P-C4'-P energy: -77.599 tors. eta vs tors. theta energy: -70.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2988.751075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.751075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.751075 (E_RNA) where: Base-Base interactions energy: -2121.917 where: short stacking energy: -888.128 Base-Backbone interact. energy: -5.580 local terms energy: -861.254939 where: bonds (distance) C4'-P energy: -157.722 bonds (distance) P-C4' energy: -167.105 flat angles C4'-P-C4' energy: -183.558 flat angles P-C4'-P energy: -127.203 tors. eta vs tors. theta energy: -225.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2898.769865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.769865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.769865 (E_RNA) where: Base-Base interactions energy: -2043.149 where: short stacking energy: -889.774 Base-Backbone interact. energy: -3.745 local terms energy: -851.875637 where: bonds (distance) C4'-P energy: -152.781 bonds (distance) P-C4' energy: -163.342 flat angles C4'-P-C4' energy: -185.006 flat angles P-C4'-P energy: -121.574 tors. eta vs tors. theta energy: -229.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2778.272959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.272959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.272959 (E_RNA) where: Base-Base interactions energy: -1999.465 where: short stacking energy: -832.530 Base-Backbone interact. energy: -1.915 local terms energy: -776.893139 where: bonds (distance) C4'-P energy: -135.938 bonds (distance) P-C4' energy: -153.174 flat angles C4'-P-C4' energy: -173.808 flat angles P-C4'-P energy: -107.042 tors. eta vs tors. theta energy: -206.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2800.089460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.089460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.089460 (E_RNA) where: Base-Base interactions energy: -1986.013 where: short stacking energy: -834.535 Base-Backbone interact. energy: -3.978 local terms energy: -810.097807 where: bonds (distance) C4'-P energy: -152.858 bonds (distance) P-C4' energy: -151.922 flat angles C4'-P-C4' energy: -176.146 flat angles P-C4'-P energy: -105.196 tors. eta vs tors. theta energy: -223.975 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: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2634.078265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.078265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.078265 (E_RNA) where: Base-Base interactions energy: -1857.507 where: short stacking energy: -828.213 Base-Backbone interact. energy: 0.231 local terms energy: -776.802543 where: bonds (distance) C4'-P energy: -144.800 bonds (distance) P-C4' energy: -137.780 flat angles C4'-P-C4' energy: -151.336 flat angles P-C4'-P energy: -118.043 tors. eta vs tors. theta energy: -224.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2458.265542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.265542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.265542 (E_RNA) where: Base-Base interactions energy: -1762.371 where: short stacking energy: -710.233 Base-Backbone interact. energy: -4.077 local terms energy: -691.817763 where: bonds (distance) C4'-P energy: -147.450 bonds (distance) P-C4' energy: -115.824 flat angles C4'-P-C4' energy: -158.226 flat angles P-C4'-P energy: -90.743 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: 7, replica: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2214.473484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.473484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.473484 (E_RNA) where: Base-Base interactions energy: -1580.756 where: short stacking energy: -661.366 Base-Backbone interact. energy: -4.646 local terms energy: -629.071122 where: bonds (distance) C4'-P energy: -126.482 bonds (distance) P-C4' energy: -129.776 flat angles C4'-P-C4' energy: -136.769 flat angles P-C4'-P energy: -77.098 tors. eta vs tors. theta energy: -158.946 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: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -2149.174660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.174660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.174660 (E_RNA) where: Base-Base interactions energy: -1500.023 where: short stacking energy: -628.189 Base-Backbone interact. energy: -1.940 local terms energy: -647.211618 where: bonds (distance) C4'-P energy: -119.827 bonds (distance) P-C4' energy: -141.187 flat angles C4'-P-C4' energy: -152.663 flat angles P-C4'-P energy: -87.115 tors. eta vs tors. theta energy: -146.420 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: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1729.354524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.354524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.354524 (E_RNA) where: Base-Base interactions energy: -1202.931 where: short stacking energy: -501.930 Base-Backbone interact. energy: -2.918 local terms energy: -523.505585 where: bonds (distance) C4'-P energy: -116.438 bonds (distance) P-C4' energy: -133.653 flat angles C4'-P-C4' energy: -105.544 flat angles P-C4'-P energy: -66.607 tors. eta vs tors. theta energy: -101.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1401.743573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.743573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.743573 (E_RNA) where: Base-Base interactions energy: -897.444 where: short stacking energy: -428.661 Base-Backbone interact. energy: 3.432 local terms energy: -507.731316 where: bonds (distance) C4'-P energy: -112.098 bonds (distance) P-C4' energy: -134.547 flat angles C4'-P-C4' energy: -124.308 flat angles P-C4'-P energy: -60.831 tors. eta vs tors. theta energy: -75.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2978.524774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.524774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.524774 (E_RNA) where: Base-Base interactions energy: -2115.008 where: short stacking energy: -890.406 Base-Backbone interact. energy: -4.557 local terms energy: -858.959275 where: bonds (distance) C4'-P energy: -156.526 bonds (distance) P-C4' energy: -157.584 flat angles C4'-P-C4' energy: -196.799 flat angles P-C4'-P energy: -109.101 tors. eta vs tors. theta energy: -238.949 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: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2891.301805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.301805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.301805 (E_RNA) where: Base-Base interactions energy: -2074.521 where: short stacking energy: -859.627 Base-Backbone interact. energy: -4.160 local terms energy: -812.620038 where: bonds (distance) C4'-P energy: -152.459 bonds (distance) P-C4' energy: -144.006 flat angles C4'-P-C4' energy: -177.697 flat angles P-C4'-P energy: -110.008 tors. eta vs tors. theta energy: -228.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2741.659107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.659107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.659107 (E_RNA) where: Base-Base interactions energy: -1946.219 where: short stacking energy: -802.088 Base-Backbone interact. energy: -4.738 local terms energy: -790.702500 where: bonds (distance) C4'-P energy: -146.856 bonds (distance) P-C4' energy: -163.717 flat angles C4'-P-C4' energy: -168.556 flat angles P-C4'-P energy: -122.146 tors. eta vs tors. theta energy: -189.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2736.800263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.800263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.800263 (E_RNA) where: Base-Base interactions energy: -1989.083 where: short stacking energy: -817.872 Base-Backbone interact. energy: 1.411 local terms energy: -749.128300 where: bonds (distance) C4'-P energy: -133.275 bonds (distance) P-C4' energy: -132.913 flat angles C4'-P-C4' energy: -158.919 flat angles P-C4'-P energy: -100.538 tors. eta vs tors. theta energy: -223.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2648.833997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.833997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.833997 (E_RNA) where: Base-Base interactions energy: -1839.738 where: short stacking energy: -806.304 Base-Backbone interact. energy: -0.451 local terms energy: -808.645697 where: bonds (distance) C4'-P energy: -147.803 bonds (distance) P-C4' energy: -152.926 flat angles C4'-P-C4' energy: -167.001 flat angles P-C4'-P energy: -111.464 tors. eta vs tors. theta energy: -229.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2458.584664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.584664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.584664 (E_RNA) where: Base-Base interactions energy: -1741.118 where: short stacking energy: -722.366 Base-Backbone interact. energy: -3.927 local terms energy: -713.539904 where: bonds (distance) C4'-P energy: -139.400 bonds (distance) P-C4' energy: -134.005 flat angles C4'-P-C4' energy: -160.239 flat angles P-C4'-P energy: -96.493 tors. eta vs tors. theta energy: -183.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2209.542781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.542781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.542781 (E_RNA) where: Base-Base interactions energy: -1548.188 where: short stacking energy: -645.706 Base-Backbone interact. energy: -2.815 local terms energy: -658.540212 where: bonds (distance) C4'-P energy: -120.502 bonds (distance) P-C4' energy: -132.837 flat angles C4'-P-C4' energy: -156.025 flat angles P-C4'-P energy: -93.251 tors. eta vs tors. theta energy: -155.925 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: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -2108.406961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.406961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.406961 (E_RNA) where: Base-Base interactions energy: -1446.115 where: short stacking energy: -615.440 Base-Backbone interact. energy: -3.218 local terms energy: -659.074843 where: bonds (distance) C4'-P energy: -133.170 bonds (distance) P-C4' energy: -128.721 flat angles C4'-P-C4' energy: -143.621 flat angles P-C4'-P energy: -107.740 tors. eta vs tors. theta energy: -145.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1851.817378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.817378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.817378 (E_RNA) where: Base-Base interactions energy: -1254.497 where: short stacking energy: -570.382 Base-Backbone interact. energy: -1.570 local terms energy: -595.749808 where: bonds (distance) C4'-P energy: -117.424 bonds (distance) P-C4' energy: -139.382 flat angles C4'-P-C4' energy: -142.738 flat angles P-C4'-P energy: -79.891 tors. eta vs tors. theta energy: -116.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1473.319065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.319065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.319065 (E_RNA) where: Base-Base interactions energy: -941.373 where: short stacking energy: -430.708 Base-Backbone interact. energy: 1.653 local terms energy: -533.599165 where: bonds (distance) C4'-P energy: -128.613 bonds (distance) P-C4' energy: -119.249 flat angles C4'-P-C4' energy: -140.029 flat angles P-C4'-P energy: -79.202 tors. eta vs tors. theta energy: -66.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2961.270917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.270917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.270917 (E_RNA) where: Base-Base interactions energy: -2137.988 where: short stacking energy: -887.205 Base-Backbone interact. energy: -2.510 local terms energy: -820.772934 where: bonds (distance) C4'-P energy: -153.526 bonds (distance) P-C4' energy: -146.274 flat angles C4'-P-C4' energy: -176.377 flat angles P-C4'-P energy: -115.902 tors. eta vs tors. theta energy: -228.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2919.769123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.769123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.769123 (E_RNA) where: Base-Base interactions energy: -2067.864 where: short stacking energy: -870.611 Base-Backbone interact. energy: -3.161 local terms energy: -848.743284 where: bonds (distance) C4'-P energy: -171.681 bonds (distance) P-C4' energy: -146.995 flat angles C4'-P-C4' energy: -185.343 flat angles P-C4'-P energy: -124.087 tors. eta vs tors. theta energy: -220.637 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: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2848.353535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.353535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.353535 (E_RNA) where: Base-Base interactions energy: -2008.036 where: short stacking energy: -820.435 Base-Backbone interact. energy: -4.921 local terms energy: -835.397315 where: bonds (distance) C4'-P energy: -158.168 bonds (distance) P-C4' energy: -155.860 flat angles C4'-P-C4' energy: -180.054 flat angles P-C4'-P energy: -116.418 tors. eta vs tors. theta energy: -224.896 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: 298 Temperature: 1.050000 Total energy: -2693.954047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.954047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.954047 (E_RNA) where: Base-Base interactions energy: -1927.820 where: short stacking energy: -824.733 Base-Backbone interact. energy: 2.943 local terms energy: -769.077612 where: bonds (distance) C4'-P energy: -132.333 bonds (distance) P-C4' energy: -149.377 flat angles C4'-P-C4' energy: -175.675 flat angles P-C4'-P energy: -100.959 tors. eta vs tors. theta energy: -210.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2624.832666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.832666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.832666 (E_RNA) where: Base-Base interactions energy: -1837.735 where: short stacking energy: -806.489 Base-Backbone interact. energy: -2.696 local terms energy: -784.402179 where: bonds (distance) C4'-P energy: -141.280 bonds (distance) P-C4' energy: -146.671 flat angles C4'-P-C4' energy: -160.153 flat angles P-C4'-P energy: -102.894 tors. eta vs tors. theta energy: -233.404 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: 6, replica: 10 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2483.062051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.062051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.062051 (E_RNA) where: Base-Base interactions energy: -1739.567 where: short stacking energy: -710.571 Base-Backbone interact. energy: -6.398 local terms energy: -737.096848 where: bonds (distance) C4'-P energy: -139.991 bonds (distance) P-C4' energy: -141.137 flat angles C4'-P-C4' energy: -174.014 flat angles P-C4'-P energy: -109.397 tors. eta vs tors. theta energy: -172.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2205.740417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.740417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.740417 (E_RNA) where: Base-Base interactions energy: -1528.790 where: short stacking energy: -651.045 Base-Backbone interact. energy: -4.467 local terms energy: -672.484079 where: bonds (distance) C4'-P energy: -131.095 bonds (distance) P-C4' energy: -129.403 flat angles C4'-P-C4' energy: -165.246 flat angles P-C4'-P energy: -98.562 tors. eta vs tors. theta energy: -148.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -2176.646157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.646157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.646157 (E_RNA) where: Base-Base interactions energy: -1533.756 where: short stacking energy: -654.228 Base-Backbone interact. energy: 1.713 local terms energy: -644.603524 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -122.499 flat angles C4'-P-C4' energy: -137.877 flat angles P-C4'-P energy: -91.443 tors. eta vs tors. theta energy: -159.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1836.235454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.235454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.235454 (E_RNA) where: Base-Base interactions energy: -1218.699 where: short stacking energy: -539.410 Base-Backbone interact. energy: 2.783 local terms energy: -620.319894 where: bonds (distance) C4'-P energy: -127.837 bonds (distance) P-C4' energy: -151.079 flat angles C4'-P-C4' energy: -141.214 flat angles P-C4'-P energy: -95.961 tors. eta vs tors. theta energy: -104.228 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: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1532.390140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.390140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.390140 (E_RNA) where: Base-Base interactions energy: -970.054 where: short stacking energy: -467.280 Base-Backbone interact. energy: 14.277 local terms energy: -576.612835 where: bonds (distance) C4'-P energy: -133.862 bonds (distance) P-C4' energy: -152.560 flat angles C4'-P-C4' energy: -132.116 flat angles P-C4'-P energy: -81.326 tors. eta vs tors. theta energy: -76.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2986.230106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.230106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.230106 (E_RNA) where: Base-Base interactions energy: -2132.504 where: short stacking energy: -894.837 Base-Backbone interact. energy: -2.450 local terms energy: -851.276116 where: bonds (distance) C4'-P energy: -145.797 bonds (distance) P-C4' energy: -158.455 flat angles C4'-P-C4' energy: -190.167 flat angles P-C4'-P energy: -126.352 tors. eta vs tors. theta energy: -230.505 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: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2894.406546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.406546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.406546 (E_RNA) where: Base-Base interactions energy: -2051.612 where: short stacking energy: -846.739 Base-Backbone interact. energy: -2.030 local terms energy: -840.764807 where: bonds (distance) C4'-P energy: -154.170 bonds (distance) P-C4' energy: -167.298 flat angles C4'-P-C4' energy: -177.809 flat angles P-C4'-P energy: -127.875 tors. eta vs tors. theta energy: -213.613 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: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2801.919033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.919033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.919033 (E_RNA) where: Base-Base interactions energy: -2003.273 where: short stacking energy: -819.353 Base-Backbone interact. energy: -4.282 local terms energy: -794.364881 where: bonds (distance) C4'-P energy: -152.443 bonds (distance) P-C4' energy: -136.433 flat angles C4'-P-C4' energy: -177.881 flat angles P-C4'-P energy: -103.301 tors. eta vs tors. theta energy: -224.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2692.967818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.967818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.967818 (E_RNA) where: Base-Base interactions energy: -1927.080 where: short stacking energy: -790.670 Base-Backbone interact. energy: -6.425 local terms energy: -759.463321 where: bonds (distance) C4'-P energy: -144.662 bonds (distance) P-C4' energy: -143.850 flat angles C4'-P-C4' energy: -163.605 flat angles P-C4'-P energy: -110.081 tors. eta vs tors. theta energy: -197.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2609.419760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.419760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.419760 (E_RNA) where: Base-Base interactions energy: -1831.597 where: short stacking energy: -820.220 Base-Backbone interact. energy: -0.487 local terms energy: -777.335507 where: bonds (distance) C4'-P energy: -122.403 bonds (distance) P-C4' energy: -137.471 flat angles C4'-P-C4' energy: -175.880 flat angles P-C4'-P energy: -114.540 tors. eta vs tors. theta energy: -227.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2415.744698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.744698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.744698 (E_RNA) where: Base-Base interactions energy: -1701.823 where: short stacking energy: -702.409 Base-Backbone interact. energy: -0.611 local terms energy: -713.311217 where: bonds (distance) C4'-P energy: -140.121 bonds (distance) P-C4' energy: -134.432 flat angles C4'-P-C4' energy: -151.982 flat angles P-C4'-P energy: -113.535 tors. eta vs tors. theta energy: -173.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2083.865346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.865346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.865346 (E_RNA) where: Base-Base interactions energy: -1392.263 where: short stacking energy: -586.206 Base-Backbone interact. energy: -2.947 local terms energy: -688.655186 where: bonds (distance) C4'-P energy: -132.049 bonds (distance) P-C4' energy: -148.291 flat angles C4'-P-C4' energy: -156.372 flat angles P-C4'-P energy: -115.368 tors. eta vs tors. theta energy: -136.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -2112.571953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.571953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.571953 (E_RNA) where: Base-Base interactions energy: -1473.408 where: short stacking energy: -612.030 Base-Backbone interact. energy: -3.277 local terms energy: -635.886859 where: bonds (distance) C4'-P energy: -141.161 bonds (distance) P-C4' energy: -144.456 flat angles C4'-P-C4' energy: -141.437 flat angles P-C4'-P energy: -64.930 tors. eta vs tors. theta energy: -143.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1826.226074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.226074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.226074 (E_RNA) where: Base-Base interactions energy: -1253.635 where: short stacking energy: -535.130 Base-Backbone interact. energy: 4.342 local terms energy: -576.933702 where: bonds (distance) C4'-P energy: -127.018 bonds (distance) P-C4' energy: -113.911 flat angles C4'-P-C4' energy: -141.937 flat angles P-C4'-P energy: -82.787 tors. eta vs tors. theta energy: -111.281 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: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1514.546932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.546932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.546932 (E_RNA) where: Base-Base interactions energy: -1054.393 where: short stacking energy: -467.350 Base-Backbone interact. energy: -1.257 local terms energy: -458.896982 where: bonds (distance) C4'-P energy: -87.740 bonds (distance) P-C4' energy: -132.716 flat angles C4'-P-C4' energy: -96.069 flat angles P-C4'-P energy: -63.766 tors. eta vs tors. theta energy: -78.606 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: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2963.840860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.840860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.840860 (E_RNA) where: Base-Base interactions energy: -2099.390 where: short stacking energy: -888.497 Base-Backbone interact. energy: -4.197 local terms energy: -860.253686 where: bonds (distance) C4'-P energy: -164.104 bonds (distance) P-C4' energy: -157.886 flat angles C4'-P-C4' energy: -180.496 flat angles P-C4'-P energy: -127.388 tors. eta vs tors. theta energy: -230.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2889.719474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.719474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.719474 (E_RNA) where: Base-Base interactions energy: -2054.744 where: short stacking energy: -855.992 Base-Backbone interact. energy: -1.421 local terms energy: -833.554786 where: bonds (distance) C4'-P energy: -167.692 bonds (distance) P-C4' energy: -148.622 flat angles C4'-P-C4' energy: -173.287 flat angles P-C4'-P energy: -125.149 tors. eta vs tors. theta energy: -218.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2835.491113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.491113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.491113 (E_RNA) where: Base-Base interactions energy: -2025.589 where: short stacking energy: -826.752 Base-Backbone interact. energy: 0.269 local terms energy: -810.171079 where: bonds (distance) C4'-P energy: -147.109 bonds (distance) P-C4' energy: -153.975 flat angles C4'-P-C4' energy: -156.626 flat angles P-C4'-P energy: -121.751 tors. eta vs tors. theta energy: -230.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2693.575382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.575382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.575382 (E_RNA) where: Base-Base interactions energy: -1940.900 where: short stacking energy: -803.900 Base-Backbone interact. energy: 1.271 local terms energy: -753.946521 where: bonds (distance) C4'-P energy: -129.112 bonds (distance) P-C4' energy: -148.039 flat angles C4'-P-C4' energy: -166.799 flat angles P-C4'-P energy: -108.955 tors. eta vs tors. theta energy: -201.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2621.275937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.275937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.275937 (E_RNA) where: Base-Base interactions energy: -1840.313 where: short stacking energy: -786.288 Base-Backbone interact. energy: -2.619 local terms energy: -778.344247 where: bonds (distance) C4'-P energy: -127.997 bonds (distance) P-C4' energy: -149.453 flat angles C4'-P-C4' energy: -163.355 flat angles P-C4'-P energy: -120.907 tors. eta vs tors. theta energy: -216.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2444.520326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.520326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.520326 (E_RNA) where: Base-Base interactions energy: -1694.283 where: short stacking energy: -714.374 Base-Backbone interact. energy: -1.837 local terms energy: -748.400234 where: bonds (distance) C4'-P energy: -137.362 bonds (distance) P-C4' energy: -156.528 flat angles C4'-P-C4' energy: -161.971 flat angles P-C4'-P energy: -107.123 tors. eta vs tors. theta energy: -185.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2176.709920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.709920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.709920 (E_RNA) where: Base-Base interactions energy: -1519.274 where: short stacking energy: -654.492 Base-Backbone interact. energy: -3.434 local terms energy: -654.001676 where: bonds (distance) C4'-P energy: -135.917 bonds (distance) P-C4' energy: -140.239 flat angles C4'-P-C4' energy: -145.152 flat angles P-C4'-P energy: -83.218 tors. eta vs tors. theta energy: -149.475 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: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -2072.070928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.070928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.070928 (E_RNA) where: Base-Base interactions energy: -1435.867 where: short stacking energy: -595.041 Base-Backbone interact. energy: 1.504 local terms energy: -637.708118 where: bonds (distance) C4'-P energy: -117.610 bonds (distance) P-C4' energy: -137.389 flat angles C4'-P-C4' energy: -141.084 flat angles P-C4'-P energy: -93.219 tors. eta vs tors. theta energy: -148.407 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: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1791.998895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.998895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.998895 (E_RNA) where: Base-Base interactions energy: -1179.377 where: short stacking energy: -520.350 Base-Backbone interact. energy: -1.144 local terms energy: -611.478815 where: bonds (distance) C4'-P energy: -114.583 bonds (distance) P-C4' energy: -145.939 flat angles C4'-P-C4' energy: -138.913 flat angles P-C4'-P energy: -93.666 tors. eta vs tors. theta energy: -118.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1535.998993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.998993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.998993 (E_RNA) where: Base-Base interactions energy: -1013.823 where: short stacking energy: -457.805 Base-Backbone interact. energy: -2.860 local terms energy: -519.316357 where: bonds (distance) C4'-P energy: -113.111 bonds (distance) P-C4' energy: -100.885 flat angles C4'-P-C4' energy: -142.483 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -94.369 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: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2983.147806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.147806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.147806 (E_RNA) where: Base-Base interactions energy: -2095.460 where: short stacking energy: -888.391 Base-Backbone interact. energy: -2.084 local terms energy: -885.603356 where: bonds (distance) C4'-P energy: -161.622 bonds (distance) P-C4' energy: -168.156 flat angles C4'-P-C4' energy: -195.827 flat angles P-C4'-P energy: -130.672 tors. eta vs tors. theta energy: -229.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2934.696311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.696311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.696311 (E_RNA) where: Base-Base interactions energy: -2109.829 where: short stacking energy: -863.576 Base-Backbone interact. energy: -2.835 local terms energy: -822.032256 where: bonds (distance) C4'-P energy: -141.675 bonds (distance) P-C4' energy: -170.989 flat angles C4'-P-C4' energy: -181.448 flat angles P-C4'-P energy: -99.743 tors. eta vs tors. theta energy: -228.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2857.613954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.613954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.613954 (E_RNA) where: Base-Base interactions energy: -2016.520 where: short stacking energy: -841.413 Base-Backbone interact. energy: -0.965 local terms energy: -840.128920 where: bonds (distance) C4'-P energy: -141.538 bonds (distance) P-C4' energy: -171.927 flat angles C4'-P-C4' energy: -180.040 flat angles P-C4'-P energy: -113.117 tors. eta vs tors. theta energy: -233.507 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: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2669.265833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.265833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.265833 (E_RNA) where: Base-Base interactions energy: -1876.710 where: short stacking energy: -852.811 Base-Backbone interact. energy: -1.321 local terms energy: -791.234087 where: bonds (distance) C4'-P energy: -123.593 bonds (distance) P-C4' energy: -146.880 flat angles C4'-P-C4' energy: -172.667 flat angles P-C4'-P energy: -111.222 tors. eta vs tors. theta energy: -236.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2675.862950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.862950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.862950 (E_RNA) where: Base-Base interactions energy: -1899.786 where: short stacking energy: -788.501 Base-Backbone interact. energy: -0.254 local terms energy: -775.823025 where: bonds (distance) C4'-P energy: -153.379 bonds (distance) P-C4' energy: -150.284 flat angles C4'-P-C4' energy: -170.315 flat angles P-C4'-P energy: -105.441 tors. eta vs tors. theta energy: -196.404 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: 6, replica: 10 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2470.998506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.998506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.998506 (E_RNA) where: Base-Base interactions energy: -1723.766 where: short stacking energy: -740.147 Base-Backbone interact. energy: -5.805 local terms energy: -741.428088 where: bonds (distance) C4'-P energy: -147.260 bonds (distance) P-C4' energy: -151.629 flat angles C4'-P-C4' energy: -160.265 flat angles P-C4'-P energy: -87.502 tors. eta vs tors. theta energy: -194.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2190.477014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.477014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.477014 (E_RNA) where: Base-Base interactions energy: -1547.315 where: short stacking energy: -672.824 Base-Backbone interact. energy: 2.594 local terms energy: -645.755802 where: bonds (distance) C4'-P energy: -143.466 bonds (distance) P-C4' energy: -129.307 flat angles C4'-P-C4' energy: -139.888 flat angles P-C4'-P energy: -74.428 tors. eta vs tors. theta energy: -158.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -2091.000610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.000610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.000610 (E_RNA) where: Base-Base interactions energy: -1466.048 where: short stacking energy: -622.353 Base-Backbone interact. energy: -1.245 local terms energy: -623.708529 where: bonds (distance) C4'-P energy: -139.155 bonds (distance) P-C4' energy: -112.652 flat angles C4'-P-C4' energy: -140.661 flat angles P-C4'-P energy: -92.459 tors. eta vs tors. theta energy: -138.781 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: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1833.653719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.653719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.653719 (E_RNA) where: Base-Base interactions energy: -1222.236 where: short stacking energy: -522.701 Base-Backbone interact. energy: 2.795 local terms energy: -614.213259 where: bonds (distance) C4'-P energy: -125.797 bonds (distance) P-C4' energy: -124.584 flat angles C4'-P-C4' energy: -154.868 flat angles P-C4'-P energy: -90.060 tors. eta vs tors. theta energy: -118.904 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: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1502.353052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.353052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.353052 (E_RNA) where: Base-Base interactions energy: -992.379 where: short stacking energy: -449.848 Base-Backbone interact. energy: 0.490 local terms energy: -510.464064 where: bonds (distance) C4'-P energy: -129.004 bonds (distance) P-C4' energy: -116.438 flat angles C4'-P-C4' energy: -125.333 flat angles P-C4'-P energy: -69.892 tors. eta vs tors. theta energy: -69.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2965.307302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.307302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.307302 (E_RNA) where: Base-Base interactions energy: -2117.851 where: short stacking energy: -863.753 Base-Backbone interact. energy: -2.520 local terms energy: -844.936355 where: bonds (distance) C4'-P energy: -180.138 bonds (distance) P-C4' energy: -151.228 flat angles C4'-P-C4' energy: -168.726 flat angles P-C4'-P energy: -128.754 tors. eta vs tors. theta energy: -216.092 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: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2878.445018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.445018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.445018 (E_RNA) where: Base-Base interactions energy: -2043.267 where: short stacking energy: -858.462 Base-Backbone interact. energy: 4.255 local terms energy: -839.433256 where: bonds (distance) C4'-P energy: -157.909 bonds (distance) P-C4' energy: -161.326 flat angles C4'-P-C4' energy: -178.451 flat angles P-C4'-P energy: -128.560 tors. eta vs tors. theta energy: -213.187 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: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2834.591709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.591709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.591709 (E_RNA) where: Base-Base interactions energy: -1985.199 where: short stacking energy: -816.467 Base-Backbone interact. energy: -4.809 local terms energy: -844.583365 where: bonds (distance) C4'-P energy: -161.048 bonds (distance) P-C4' energy: -162.194 flat angles C4'-P-C4' energy: -162.389 flat angles P-C4'-P energy: -121.316 tors. eta vs tors. theta energy: -237.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2724.778558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.778558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.778558 (E_RNA) where: Base-Base interactions energy: -1901.834 where: short stacking energy: -849.579 Base-Backbone interact. energy: -2.920 local terms energy: -820.024045 where: bonds (distance) C4'-P energy: -134.436 bonds (distance) P-C4' energy: -150.984 flat angles C4'-P-C4' energy: -182.706 flat angles P-C4'-P energy: -110.210 tors. eta vs tors. theta energy: -241.689 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: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2680.979035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.979035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.979035 (E_RNA) where: Base-Base interactions energy: -1908.264 where: short stacking energy: -791.979 Base-Backbone interact. energy: 3.362 local terms energy: -776.077037 where: bonds (distance) C4'-P energy: -139.029 bonds (distance) P-C4' energy: -157.195 flat angles C4'-P-C4' energy: -166.303 flat angles P-C4'-P energy: -115.133 tors. eta vs tors. theta energy: -198.418 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: 10 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2533.063558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.063558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.063558 (E_RNA) where: Base-Base interactions energy: -1773.668 where: short stacking energy: -749.108 Base-Backbone interact. energy: -4.651 local terms energy: -754.744633 where: bonds (distance) C4'-P energy: -140.015 bonds (distance) P-C4' energy: -145.789 flat angles C4'-P-C4' energy: -159.366 flat angles P-C4'-P energy: -121.129 tors. eta vs tors. theta energy: -188.446 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: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2193.327130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.327130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.327130 (E_RNA) where: Base-Base interactions energy: -1541.056 where: short stacking energy: -665.688 Base-Backbone interact. energy: -0.069 local terms energy: -652.202319 where: bonds (distance) C4'-P energy: -119.135 bonds (distance) P-C4' energy: -129.921 flat angles C4'-P-C4' energy: -157.891 flat angles P-C4'-P energy: -106.105 tors. eta vs tors. theta energy: -139.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -2088.481452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.481452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.481452 (E_RNA) where: Base-Base interactions energy: -1466.127 where: short stacking energy: -613.099 Base-Backbone interact. energy: -4.134 local terms energy: -618.220276 where: bonds (distance) C4'-P energy: -146.211 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -147.228 flat angles P-C4'-P energy: -94.965 tors. eta vs tors. theta energy: -123.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1839.025866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.025866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.025866 (E_RNA) where: Base-Base interactions energy: -1260.554 where: short stacking energy: -552.762 Base-Backbone interact. energy: -2.257 local terms energy: -576.214774 where: bonds (distance) C4'-P energy: -132.367 bonds (distance) P-C4' energy: -123.603 flat angles C4'-P-C4' energy: -128.899 flat angles P-C4'-P energy: -78.550 tors. eta vs tors. theta energy: -112.795 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: 10, replica: 8 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1497.279958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.279958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.279958 (E_RNA) where: Base-Base interactions energy: -982.930 where: short stacking energy: -460.799 Base-Backbone interact. energy: 0.558 local terms energy: -514.907544 where: bonds (distance) C4'-P energy: -115.767 bonds (distance) P-C4' energy: -93.920 flat angles C4'-P-C4' energy: -137.218 flat angles P-C4'-P energy: -79.259 tors. eta vs tors. theta energy: -88.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2977.456428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.456428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.456428 (E_RNA) where: Base-Base interactions energy: -2117.784 where: short stacking energy: -907.509 Base-Backbone interact. energy: -2.552 local terms energy: -857.120469 where: bonds (distance) C4'-P energy: -157.166 bonds (distance) P-C4' energy: -160.665 flat angles C4'-P-C4' energy: -181.109 flat angles P-C4'-P energy: -119.672 tors. eta vs tors. theta energy: -238.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2884.222825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.222825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.222825 (E_RNA) where: Base-Base interactions energy: -2041.537 where: short stacking energy: -860.424 Base-Backbone interact. energy: -4.306 local terms energy: -838.379410 where: bonds (distance) C4'-P energy: -162.864 bonds (distance) P-C4' energy: -158.918 flat angles C4'-P-C4' energy: -189.262 flat angles P-C4'-P energy: -109.104 tors. eta vs tors. theta energy: -218.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2860.001596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.001596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.001596 (E_RNA) where: Base-Base interactions energy: -2035.430 where: short stacking energy: -839.804 Base-Backbone interact. energy: -3.060 local terms energy: -821.512489 where: bonds (distance) C4'-P energy: -142.724 bonds (distance) P-C4' energy: -148.236 flat angles C4'-P-C4' energy: -187.159 flat angles P-C4'-P energy: -105.695 tors. eta vs tors. theta energy: -237.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2692.436426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.436426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.436426 (E_RNA) where: Base-Base interactions energy: -1887.097 where: short stacking energy: -847.522 Base-Backbone interact. energy: -4.385 local terms energy: -800.953977 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -150.486 flat angles C4'-P-C4' energy: -176.674 flat angles P-C4'-P energy: -111.545 tors. eta vs tors. theta energy: -230.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2654.492818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.492818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.492818 (E_RNA) where: Base-Base interactions energy: -1920.852 where: short stacking energy: -798.672 Base-Backbone interact. energy: 6.610 local terms energy: -740.251401 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -144.460 flat angles C4'-P-C4' energy: -171.127 flat angles P-C4'-P energy: -101.406 tors. eta vs tors. theta energy: -203.356 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: 6, replica: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2506.190967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.190967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.190967 (E_RNA) where: Base-Base interactions energy: -1779.710 where: short stacking energy: -735.225 Base-Backbone interact. energy: -0.481 local terms energy: -726.000562 where: bonds (distance) C4'-P energy: -145.181 bonds (distance) P-C4' energy: -144.265 flat angles C4'-P-C4' energy: -150.259 flat angles P-C4'-P energy: -100.802 tors. eta vs tors. theta energy: -185.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2222.629156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.629156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.629156 (E_RNA) where: Base-Base interactions energy: -1560.861 where: short stacking energy: -653.829 Base-Backbone interact. energy: -0.401 local terms energy: -661.367393 where: bonds (distance) C4'-P energy: -148.776 bonds (distance) P-C4' energy: -124.627 flat angles C4'-P-C4' energy: -147.697 flat angles P-C4'-P energy: -79.901 tors. eta vs tors. theta energy: -160.367 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: 303 Temperature: 1.250000 Total energy: -2112.676867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.676867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.676867 (E_RNA) where: Base-Base interactions energy: -1438.694 where: short stacking energy: -617.480 Base-Backbone interact. energy: -1.146 local terms energy: -672.837279 where: bonds (distance) C4'-P energy: -121.440 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -159.112 flat angles P-C4'-P energy: -91.790 tors. eta vs tors. theta energy: -147.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1864.831840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.831840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.831840 (E_RNA) where: Base-Base interactions energy: -1278.150 where: short stacking energy: -536.793 Base-Backbone interact. energy: -1.025 local terms energy: -585.656236 where: bonds (distance) C4'-P energy: -138.696 bonds (distance) P-C4' energy: -117.158 flat angles C4'-P-C4' energy: -147.637 flat angles P-C4'-P energy: -85.764 tors. eta vs tors. theta energy: -96.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1518.175894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.175894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.175894 (E_RNA) where: Base-Base interactions energy: -995.931 where: short stacking energy: -494.066 Base-Backbone interact. energy: 1.828 local terms energy: -524.073609 where: bonds (distance) C4'-P energy: -133.756 bonds (distance) P-C4' energy: -112.559 flat angles C4'-P-C4' energy: -123.933 flat angles P-C4'-P energy: -79.963 tors. eta vs tors. theta energy: -73.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2971.194563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.194563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.194563 (E_RNA) where: Base-Base interactions energy: -2099.024 where: short stacking energy: -904.702 Base-Backbone interact. energy: -0.602 local terms energy: -871.568884 where: bonds (distance) C4'-P energy: -149.839 bonds (distance) P-C4' energy: -164.084 flat angles C4'-P-C4' energy: -193.298 flat angles P-C4'-P energy: -128.140 tors. eta vs tors. theta energy: -236.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2893.633077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.633077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.633077 (E_RNA) where: Base-Base interactions energy: -2080.389 where: short stacking energy: -867.494 Base-Backbone interact. energy: -1.616 local terms energy: -811.628072 where: bonds (distance) C4'-P energy: -149.767 bonds (distance) P-C4' energy: -157.389 flat angles C4'-P-C4' energy: -180.529 flat angles P-C4'-P energy: -104.858 tors. eta vs tors. theta energy: -219.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2848.683314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.683314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.683314 (E_RNA) where: Base-Base interactions energy: -2016.285 where: short stacking energy: -837.752 Base-Backbone interact. energy: -4.048 local terms energy: -828.349684 where: bonds (distance) C4'-P energy: -154.038 bonds (distance) P-C4' energy: -142.830 flat angles C4'-P-C4' energy: -174.898 flat angles P-C4'-P energy: -126.360 tors. eta vs tors. theta energy: -230.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2710.513857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.513857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.513857 (E_RNA) where: Base-Base interactions energy: -1880.819 where: short stacking energy: -847.700 Base-Backbone interact. energy: 0.260 local terms energy: -829.954711 where: bonds (distance) C4'-P energy: -142.683 bonds (distance) P-C4' energy: -157.704 flat angles C4'-P-C4' energy: -183.526 flat angles P-C4'-P energy: -115.519 tors. eta vs tors. theta energy: -230.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2681.410489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.410489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.410489 (E_RNA) where: Base-Base interactions energy: -1951.639 where: short stacking energy: -809.457 Base-Backbone interact. energy: 0.843 local terms energy: -730.614837 where: bonds (distance) C4'-P energy: -129.089 bonds (distance) P-C4' energy: -124.729 flat angles C4'-P-C4' energy: -163.301 flat angles P-C4'-P energy: -117.029 tors. eta vs tors. theta energy: -196.468 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: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2527.436070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.436070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.436070 (E_RNA) where: Base-Base interactions energy: -1778.585 where: short stacking energy: -770.783 Base-Backbone interact. energy: -6.443 local terms energy: -742.408274 where: bonds (distance) C4'-P energy: -149.042 bonds (distance) P-C4' energy: -147.906 flat angles C4'-P-C4' energy: -151.540 flat angles P-C4'-P energy: -98.222 tors. eta vs tors. theta energy: -195.699 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: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2277.040557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.040557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.040557 (E_RNA) where: Base-Base interactions energy: -1609.392 where: short stacking energy: -663.189 Base-Backbone interact. energy: 1.425 local terms energy: -669.073295 where: bonds (distance) C4'-P energy: -102.089 bonds (distance) P-C4' energy: -137.368 flat angles C4'-P-C4' energy: -159.496 flat angles P-C4'-P energy: -99.482 tors. eta vs tors. theta energy: -170.638 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: 304 Temperature: 1.250000 Total energy: -2163.657352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.657352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.657352 (E_RNA) where: Base-Base interactions energy: -1510.070 where: short stacking energy: -631.454 Base-Backbone interact. energy: -2.200 local terms energy: -651.386789 where: bonds (distance) C4'-P energy: -131.772 bonds (distance) P-C4' energy: -128.119 flat angles C4'-P-C4' energy: -142.323 flat angles P-C4'-P energy: -98.279 tors. eta vs tors. theta energy: -150.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1815.971443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.971443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.971443 (E_RNA) where: Base-Base interactions energy: -1246.399 where: short stacking energy: -534.751 Base-Backbone interact. energy: -2.735 local terms energy: -566.837097 where: bonds (distance) C4'-P energy: -136.260 bonds (distance) P-C4' energy: -120.566 flat angles C4'-P-C4' energy: -131.544 flat angles P-C4'-P energy: -84.769 tors. eta vs tors. theta energy: -93.698 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: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1506.964395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.964395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.964395 (E_RNA) where: Base-Base interactions energy: -980.976 where: short stacking energy: -466.397 Base-Backbone interact. energy: 2.134 local terms energy: -528.122330 where: bonds (distance) C4'-P energy: -124.605 bonds (distance) P-C4' energy: -116.742 flat angles C4'-P-C4' energy: -104.819 flat angles P-C4'-P energy: -101.931 tors. eta vs tors. theta energy: -80.024 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: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2982.724022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.724022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.724022 (E_RNA) where: Base-Base interactions energy: -2111.945 where: short stacking energy: -891.911 Base-Backbone interact. energy: -5.627 local terms energy: -865.151370 where: bonds (distance) C4'-P energy: -153.110 bonds (distance) P-C4' energy: -172.537 flat angles C4'-P-C4' energy: -176.498 flat angles P-C4'-P energy: -129.850 tors. eta vs tors. theta energy: -233.156 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: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2888.232299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.232299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.232299 (E_RNA) where: Base-Base interactions energy: -2064.925 where: short stacking energy: -876.679 Base-Backbone interact. energy: -4.212 local terms energy: -819.095292 where: bonds (distance) C4'-P energy: -153.059 bonds (distance) P-C4' energy: -160.365 flat angles C4'-P-C4' energy: -182.827 flat angles P-C4'-P energy: -109.873 tors. eta vs tors. theta energy: -212.971 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: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2835.875169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.875169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.875169 (E_RNA) where: Base-Base interactions energy: -2027.611 where: short stacking energy: -823.954 Base-Backbone interact. energy: -3.142 local terms energy: -805.122326 where: bonds (distance) C4'-P energy: -154.813 bonds (distance) P-C4' energy: -146.555 flat angles C4'-P-C4' energy: -176.628 flat angles P-C4'-P energy: -103.192 tors. eta vs tors. theta energy: -223.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2750.345947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.345947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.345947 (E_RNA) where: Base-Base interactions energy: -1961.824 where: short stacking energy: -807.684 Base-Backbone interact. energy: -4.317 local terms energy: -784.205468 where: bonds (distance) C4'-P energy: -137.787 bonds (distance) P-C4' energy: -153.612 flat angles C4'-P-C4' energy: -164.931 flat angles P-C4'-P energy: -121.504 tors. eta vs tors. theta energy: -206.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2626.160103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.160103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.160103 (E_RNA) where: Base-Base interactions energy: -1834.294 where: short stacking energy: -801.718 Base-Backbone interact. energy: -1.815 local terms energy: -790.050717 where: bonds (distance) C4'-P energy: -151.652 bonds (distance) P-C4' energy: -126.501 flat angles C4'-P-C4' energy: -176.784 flat angles P-C4'-P energy: -113.872 tors. eta vs tors. theta energy: -221.242 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: 305 Temperature: 1.150000 Total energy: -2496.643085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.643085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.643085 (E_RNA) where: Base-Base interactions energy: -1736.883 where: short stacking energy: -703.488 Base-Backbone interact. energy: -5.979 local terms energy: -753.780779 where: bonds (distance) C4'-P energy: -149.379 bonds (distance) P-C4' energy: -153.514 flat angles C4'-P-C4' energy: -160.666 flat angles P-C4'-P energy: -96.735 tors. eta vs tors. theta energy: -193.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2307.735335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.735335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.735335 (E_RNA) where: Base-Base interactions energy: -1604.266 where: short stacking energy: -675.393 Base-Backbone interact. energy: -1.600 local terms energy: -701.869404 where: bonds (distance) C4'-P energy: -148.637 bonds (distance) P-C4' energy: -152.317 flat angles C4'-P-C4' energy: -155.498 flat angles P-C4'-P energy: -70.380 tors. eta vs tors. theta energy: -175.038 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: 305 Temperature: 1.250000 Total energy: -2201.000540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.000540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.000540 (E_RNA) where: Base-Base interactions energy: -1531.221 where: short stacking energy: -637.315 Base-Backbone interact. energy: -4.190 local terms energy: -665.589782 where: bonds (distance) C4'-P energy: -133.280 bonds (distance) P-C4' energy: -139.418 flat angles C4'-P-C4' energy: -137.396 flat angles P-C4'-P energy: -103.496 tors. eta vs tors. theta energy: -152.000 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: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1835.641930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.641930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.641930 (E_RNA) where: Base-Base interactions energy: -1272.187 where: short stacking energy: -562.488 Base-Backbone interact. energy: -2.828 local terms energy: -560.627565 where: bonds (distance) C4'-P energy: -125.734 bonds (distance) P-C4' energy: -101.719 flat angles C4'-P-C4' energy: -131.343 flat angles P-C4'-P energy: -93.384 tors. eta vs tors. theta energy: -108.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1462.424195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.424195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.424195 (E_RNA) where: Base-Base interactions energy: -936.818 where: short stacking energy: -407.086 Base-Backbone interact. energy: -0.908 local terms energy: -524.697627 where: bonds (distance) C4'-P energy: -114.720 bonds (distance) P-C4' energy: -146.342 flat angles C4'-P-C4' energy: -131.319 flat angles P-C4'-P energy: -64.910 tors. eta vs tors. theta energy: -67.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2967.446281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.446281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.446281 (E_RNA) where: Base-Base interactions energy: -2093.969 where: short stacking energy: -908.336 Base-Backbone interact. energy: -2.786 local terms energy: -870.691476 where: bonds (distance) C4'-P energy: -161.360 bonds (distance) P-C4' energy: -165.878 flat angles C4'-P-C4' energy: -177.587 flat angles P-C4'-P energy: -131.242 tors. eta vs tors. theta energy: -234.623 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: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2900.791069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.791069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.791069 (E_RNA) where: Base-Base interactions energy: -2067.311 where: short stacking energy: -859.526 Base-Backbone interact. energy: 0.517 local terms energy: -833.997214 where: bonds (distance) C4'-P energy: -157.826 bonds (distance) P-C4' energy: -152.380 flat angles C4'-P-C4' energy: -181.177 flat angles P-C4'-P energy: -117.602 tors. eta vs tors. theta energy: -225.013 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: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2840.473964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.473964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.473964 (E_RNA) where: Base-Base interactions energy: -2010.545 where: short stacking energy: -829.999 Base-Backbone interact. energy: -3.111 local terms energy: -826.818555 where: bonds (distance) C4'-P energy: -162.797 bonds (distance) P-C4' energy: -149.441 flat angles C4'-P-C4' energy: -177.361 flat angles P-C4'-P energy: -102.835 tors. eta vs tors. theta energy: -234.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2771.442053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.442053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.442053 (E_RNA) where: Base-Base interactions energy: -1971.972 where: short stacking energy: -822.936 Base-Backbone interact. energy: -1.370 local terms energy: -798.100523 where: bonds (distance) C4'-P energy: -151.769 bonds (distance) P-C4' energy: -137.728 flat angles C4'-P-C4' energy: -175.568 flat angles P-C4'-P energy: -118.584 tors. eta vs tors. theta energy: -214.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2640.886230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.886230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.886230 (E_RNA) where: Base-Base interactions energy: -1880.509 where: short stacking energy: -824.674 Base-Backbone interact. energy: -0.702 local terms energy: -759.674738 where: bonds (distance) C4'-P energy: -123.500 bonds (distance) P-C4' energy: -137.696 flat angles C4'-P-C4' energy: -176.107 flat angles P-C4'-P energy: -105.441 tors. eta vs tors. theta energy: -216.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2473.594898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.594898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.594898 (E_RNA) where: Base-Base interactions energy: -1775.117 where: short stacking energy: -743.661 Base-Backbone interact. energy: -5.911 local terms energy: -692.566631 where: bonds (distance) C4'-P energy: -104.143 bonds (distance) P-C4' energy: -151.319 flat angles C4'-P-C4' energy: -158.001 flat angles P-C4'-P energy: -91.598 tors. eta vs tors. theta energy: -187.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2237.823030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.823030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.823030 (E_RNA) where: Base-Base interactions energy: -1539.803 where: short stacking energy: -697.443 Base-Backbone interact. energy: 2.537 local terms energy: -700.556976 where: bonds (distance) C4'-P energy: -118.500 bonds (distance) P-C4' energy: -150.498 flat angles C4'-P-C4' energy: -169.956 flat angles P-C4'-P energy: -90.903 tors. eta vs tors. theta energy: -170.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -2144.128042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.128042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.128042 (E_RNA) where: Base-Base interactions energy: -1497.744 where: short stacking energy: -631.790 Base-Backbone interact. energy: 1.433 local terms energy: -647.817471 where: bonds (distance) C4'-P energy: -130.501 bonds (distance) P-C4' energy: -141.122 flat angles C4'-P-C4' energy: -130.019 flat angles P-C4'-P energy: -98.743 tors. eta vs tors. theta energy: -147.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1833.794901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.794901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.794901 (E_RNA) where: Base-Base interactions energy: -1255.300 where: short stacking energy: -524.819 Base-Backbone interact. energy: 7.155 local terms energy: -585.650333 where: bonds (distance) C4'-P energy: -127.248 bonds (distance) P-C4' energy: -134.086 flat angles C4'-P-C4' energy: -125.865 flat angles P-C4'-P energy: -87.806 tors. eta vs tors. theta energy: -110.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1458.851886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.851886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.851886 (E_RNA) where: Base-Base interactions energy: -917.488 where: short stacking energy: -435.917 Base-Backbone interact. energy: 3.668 local terms energy: -545.032103 where: bonds (distance) C4'-P energy: -124.150 bonds (distance) P-C4' energy: -134.657 flat angles C4'-P-C4' energy: -138.555 flat angles P-C4'-P energy: -75.834 tors. eta vs tors. theta energy: -71.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2995.985746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.985746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.985746 (E_RNA) where: Base-Base interactions energy: -2118.171 where: short stacking energy: -906.321 Base-Backbone interact. energy: -7.224 local terms energy: -870.590618 where: bonds (distance) C4'-P energy: -164.962 bonds (distance) P-C4' energy: -156.943 flat angles C4'-P-C4' energy: -187.800 flat angles P-C4'-P energy: -119.649 tors. eta vs tors. theta energy: -241.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2888.923618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.923618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.923618 (E_RNA) where: Base-Base interactions energy: -2058.558 where: short stacking energy: -854.616 Base-Backbone interact. energy: -3.217 local terms energy: -827.148125 where: bonds (distance) C4'-P energy: -153.039 bonds (distance) P-C4' energy: -161.297 flat angles C4'-P-C4' energy: -187.961 flat angles P-C4'-P energy: -112.898 tors. eta vs tors. theta energy: -211.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2855.346117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.346117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.346117 (E_RNA) where: Base-Base interactions energy: -2036.148 where: short stacking energy: -823.819 Base-Backbone interact. energy: -2.234 local terms energy: -816.964069 where: bonds (distance) C4'-P energy: -153.427 bonds (distance) P-C4' energy: -143.623 flat angles C4'-P-C4' energy: -178.820 flat angles P-C4'-P energy: -111.925 tors. eta vs tors. theta energy: -229.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2787.431069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.431069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.431069 (E_RNA) where: Base-Base interactions energy: -2004.559 where: short stacking energy: -825.474 Base-Backbone interact. energy: 5.178 local terms energy: -788.050429 where: bonds (distance) C4'-P energy: -136.953 bonds (distance) P-C4' energy: -140.255 flat angles C4'-P-C4' energy: -178.151 flat angles P-C4'-P energy: -114.757 tors. eta vs tors. theta energy: -217.935 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: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2643.582311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.582311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.582311 (E_RNA) where: Base-Base interactions energy: -1884.730 where: short stacking energy: -805.194 Base-Backbone interact. energy: -2.444 local terms energy: -756.409190 where: bonds (distance) C4'-P energy: -146.699 bonds (distance) P-C4' energy: -122.071 flat angles C4'-P-C4' energy: -160.403 flat angles P-C4'-P energy: -104.780 tors. eta vs tors. theta energy: -222.456 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: 6, replica: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2459.049531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.049531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.049531 (E_RNA) where: Base-Base interactions energy: -1737.193 where: short stacking energy: -727.950 Base-Backbone interact. energy: -10.631 local terms energy: -711.225117 where: bonds (distance) C4'-P energy: -129.302 bonds (distance) P-C4' energy: -148.177 flat angles C4'-P-C4' energy: -142.685 flat angles P-C4'-P energy: -93.226 tors. eta vs tors. theta energy: -197.835 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: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2239.674689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.674689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.674689 (E_RNA) where: Base-Base interactions energy: -1534.109 where: short stacking energy: -691.115 Base-Backbone interact. energy: -1.837 local terms energy: -703.728552 where: bonds (distance) C4'-P energy: -131.306 bonds (distance) P-C4' energy: -144.438 flat angles C4'-P-C4' energy: -158.856 flat angles P-C4'-P energy: -91.453 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: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -2115.694192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.694192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.694192 (E_RNA) where: Base-Base interactions energy: -1511.798 where: short stacking energy: -631.944 Base-Backbone interact. energy: -1.738 local terms energy: -602.157853 where: bonds (distance) C4'-P energy: -145.146 bonds (distance) P-C4' energy: -97.843 flat angles C4'-P-C4' energy: -142.959 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -131.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1823.371786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.371786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.371786 (E_RNA) where: Base-Base interactions energy: -1228.416 where: short stacking energy: -542.427 Base-Backbone interact. energy: -1.517 local terms energy: -593.438583 where: bonds (distance) C4'-P energy: -122.605 bonds (distance) P-C4' energy: -137.323 flat angles C4'-P-C4' energy: -132.117 flat angles P-C4'-P energy: -91.201 tors. eta vs tors. theta energy: -110.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1521.359573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.359573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.359573 (E_RNA) where: Base-Base interactions energy: -993.206 where: short stacking energy: -460.938 Base-Backbone interact. energy: -1.094 local terms energy: -527.060193 where: bonds (distance) C4'-P energy: -133.315 bonds (distance) P-C4' energy: -106.389 flat angles C4'-P-C4' energy: -124.809 flat angles P-C4'-P energy: -80.000 tors. eta vs tors. theta energy: -82.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2987.246356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.246356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.246356 (E_RNA) where: Base-Base interactions energy: -2090.896 where: short stacking energy: -874.288 Base-Backbone interact. energy: -4.116 local terms energy: -892.235007 where: bonds (distance) C4'-P energy: -169.013 bonds (distance) P-C4' energy: -173.302 flat angles C4'-P-C4' energy: -200.490 flat angles P-C4'-P energy: -114.111 tors. eta vs tors. theta energy: -235.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2908.332579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.332579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.332579 (E_RNA) where: Base-Base interactions energy: -2053.304 where: short stacking energy: -866.086 Base-Backbone interact. energy: -2.922 local terms energy: -852.106573 where: bonds (distance) C4'-P energy: -154.716 bonds (distance) P-C4' energy: -164.287 flat angles C4'-P-C4' energy: -181.684 flat angles P-C4'-P energy: -126.601 tors. eta vs tors. theta energy: -224.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2862.251506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.251506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.251506 (E_RNA) where: Base-Base interactions energy: -2009.211 where: short stacking energy: -826.215 Base-Backbone interact. energy: 2.727 local terms energy: -855.767240 where: bonds (distance) C4'-P energy: -158.882 bonds (distance) P-C4' energy: -161.007 flat angles C4'-P-C4' energy: -168.560 flat angles P-C4'-P energy: -135.659 tors. eta vs tors. theta energy: -231.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2776.092813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.092813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.092813 (E_RNA) where: Base-Base interactions energy: -1978.856 where: short stacking energy: -812.115 Base-Backbone interact. energy: -1.348 local terms energy: -795.889087 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -132.854 flat angles C4'-P-C4' energy: -178.937 flat angles P-C4'-P energy: -122.800 tors. eta vs tors. theta energy: -218.212 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: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2638.827919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.827919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.827919 (E_RNA) where: Base-Base interactions energy: -1866.231 where: short stacking energy: -814.041 Base-Backbone interact. energy: 1.380 local terms energy: -773.976476 where: bonds (distance) C4'-P energy: -121.080 bonds (distance) P-C4' energy: -148.513 flat angles C4'-P-C4' energy: -165.390 flat angles P-C4'-P energy: -108.670 tors. eta vs tors. theta energy: -230.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2479.459503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.459503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.459503 (E_RNA) where: Base-Base interactions energy: -1755.337 where: short stacking energy: -748.089 Base-Backbone interact. energy: 3.495 local terms energy: -727.616613 where: bonds (distance) C4'-P energy: -133.799 bonds (distance) P-C4' energy: -142.304 flat angles C4'-P-C4' energy: -166.116 flat angles P-C4'-P energy: -101.949 tors. eta vs tors. theta energy: -183.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2222.382866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.382866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.382866 (E_RNA) where: Base-Base interactions energy: -1517.692 where: short stacking energy: -659.981 Base-Backbone interact. energy: -3.702 local terms energy: -700.988164 where: bonds (distance) C4'-P energy: -121.702 bonds (distance) P-C4' energy: -154.267 flat angles C4'-P-C4' energy: -153.828 flat angles P-C4'-P energy: -103.887 tors. eta vs tors. theta energy: -167.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -2036.099556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.099556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.099556 (E_RNA) where: Base-Base interactions energy: -1408.562 where: short stacking energy: -570.455 Base-Backbone interact. energy: -5.092 local terms energy: -622.445583 where: bonds (distance) C4'-P energy: -127.293 bonds (distance) P-C4' energy: -141.309 flat angles C4'-P-C4' energy: -142.236 flat angles P-C4'-P energy: -75.302 tors. eta vs tors. theta energy: -136.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1896.900043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.900043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.900043 (E_RNA) where: Base-Base interactions energy: -1334.344 where: short stacking energy: -559.989 Base-Backbone interact. energy: -1.262 local terms energy: -561.293678 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -137.018 flat angles P-C4'-P energy: -85.356 tors. eta vs tors. theta energy: -122.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1450.452121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.452121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.452121 (E_RNA) where: Base-Base interactions energy: -928.104 where: short stacking energy: -439.251 Base-Backbone interact. energy: 2.378 local terms energy: -524.726099 where: bonds (distance) C4'-P energy: -119.509 bonds (distance) P-C4' energy: -130.565 flat angles C4'-P-C4' energy: -121.719 flat angles P-C4'-P energy: -74.221 tors. eta vs tors. theta energy: -78.713 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: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2987.711121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.711121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.711121 (E_RNA) where: Base-Base interactions energy: -2141.928 where: short stacking energy: -896.679 Base-Backbone interact. energy: -0.310 local terms energy: -845.473685 where: bonds (distance) C4'-P energy: -155.670 bonds (distance) P-C4' energy: -153.994 flat angles C4'-P-C4' energy: -186.882 flat angles P-C4'-P energy: -115.006 tors. eta vs tors. theta energy: -233.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2905.051859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.051859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.051859 (E_RNA) where: Base-Base interactions energy: -2072.142 where: short stacking energy: -859.568 Base-Backbone interact. energy: -4.047 local terms energy: -828.862720 where: bonds (distance) C4'-P energy: -143.922 bonds (distance) P-C4' energy: -146.023 flat angles C4'-P-C4' energy: -184.173 flat angles P-C4'-P energy: -128.390 tors. eta vs tors. theta energy: -226.356 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: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2815.628611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.628611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.628611 (E_RNA) where: Base-Base interactions energy: -2043.381 where: short stacking energy: -842.857 Base-Backbone interact. energy: -2.083 local terms energy: -770.164549 where: bonds (distance) C4'-P energy: -131.567 bonds (distance) P-C4' energy: -131.948 flat angles C4'-P-C4' energy: -164.588 flat angles P-C4'-P energy: -109.115 tors. eta vs tors. theta energy: -232.947 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: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2757.730272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.730272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.730272 (E_RNA) where: Base-Base interactions energy: -1938.529 where: short stacking energy: -785.393 Base-Backbone interact. energy: -5.969 local terms energy: -813.232016 where: bonds (distance) C4'-P energy: -141.219 bonds (distance) P-C4' energy: -153.804 flat angles C4'-P-C4' energy: -172.888 flat angles P-C4'-P energy: -126.774 tors. eta vs tors. theta energy: -218.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2657.474374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.474374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.474374 (E_RNA) where: Base-Base interactions energy: -1867.295 where: short stacking energy: -779.149 Base-Backbone interact. energy: -5.614 local terms energy: -784.565076 where: bonds (distance) C4'-P energy: -144.401 bonds (distance) P-C4' energy: -138.951 flat angles C4'-P-C4' energy: -164.334 flat angles P-C4'-P energy: -118.452 tors. eta vs tors. theta energy: -218.427 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: 6, replica: 10 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2508.124745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.124745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.124745 (E_RNA) where: Base-Base interactions energy: -1791.380 where: short stacking energy: -746.287 Base-Backbone interact. energy: -4.145 local terms energy: -712.599455 where: bonds (distance) C4'-P energy: -141.925 bonds (distance) P-C4' energy: -125.494 flat angles C4'-P-C4' energy: -158.786 flat angles P-C4'-P energy: -99.150 tors. eta vs tors. theta energy: -187.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2245.759385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.759385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.759385 (E_RNA) where: Base-Base interactions energy: -1571.104 where: short stacking energy: -669.639 Base-Backbone interact. energy: -0.989 local terms energy: -673.666133 where: bonds (distance) C4'-P energy: -120.396 bonds (distance) P-C4' energy: -155.704 flat angles C4'-P-C4' energy: -145.841 flat angles P-C4'-P energy: -88.079 tors. eta vs tors. theta energy: -163.646 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: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -2074.838865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.838865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.838865 (E_RNA) where: Base-Base interactions energy: -1438.670 where: short stacking energy: -606.336 Base-Backbone interact. energy: -3.068 local terms energy: -633.100567 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -142.820 flat angles C4'-P-C4' energy: -137.173 flat angles P-C4'-P energy: -98.855 tors. eta vs tors. theta energy: -130.755 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: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1868.289354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.289354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.289354 (E_RNA) where: Base-Base interactions energy: -1309.891 where: short stacking energy: -563.748 Base-Backbone interact. energy: -2.108 local terms energy: -556.290616 where: bonds (distance) C4'-P energy: -134.238 bonds (distance) P-C4' energy: -113.058 flat angles C4'-P-C4' energy: -110.234 flat angles P-C4'-P energy: -85.195 tors. eta vs tors. theta energy: -113.565 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: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1513.657030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.657030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.657030 (E_RNA) where: Base-Base interactions energy: -992.767 where: short stacking energy: -442.981 Base-Backbone interact. energy: -0.439 local terms energy: -520.450880 where: bonds (distance) C4'-P energy: -121.772 bonds (distance) P-C4' energy: -114.264 flat angles C4'-P-C4' energy: -125.911 flat angles P-C4'-P energy: -82.562 tors. eta vs tors. theta energy: -75.942 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: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2987.332911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.332911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.332911 (E_RNA) where: Base-Base interactions energy: -2134.621 where: short stacking energy: -913.392 Base-Backbone interact. energy: -4.472 local terms energy: -848.240508 where: bonds (distance) C4'-P energy: -158.588 bonds (distance) P-C4' energy: -154.119 flat angles C4'-P-C4' energy: -173.631 flat angles P-C4'-P energy: -130.506 tors. eta vs tors. theta energy: -231.397 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: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2870.284143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.284143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.284143 (E_RNA) where: Base-Base interactions energy: -2025.187 where: short stacking energy: -854.416 Base-Backbone interact. energy: -0.379 local terms energy: -844.718752 where: bonds (distance) C4'-P energy: -159.649 bonds (distance) P-C4' energy: -156.941 flat angles C4'-P-C4' energy: -185.945 flat angles P-C4'-P energy: -127.966 tors. eta vs tors. theta energy: -214.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2844.031706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.031706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.031706 (E_RNA) where: Base-Base interactions energy: -2003.889 where: short stacking energy: -823.621 Base-Backbone interact. energy: -0.777 local terms energy: -839.365881 where: bonds (distance) C4'-P energy: -158.625 bonds (distance) P-C4' energy: -159.232 flat angles C4'-P-C4' energy: -170.624 flat angles P-C4'-P energy: -118.510 tors. eta vs tors. theta energy: -232.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2800.716672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.716672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.716672 (E_RNA) where: Base-Base interactions energy: -1987.458 where: short stacking energy: -847.910 Base-Backbone interact. energy: -4.261 local terms energy: -808.997683 where: bonds (distance) C4'-P energy: -144.596 bonds (distance) P-C4' energy: -132.546 flat angles C4'-P-C4' energy: -183.134 flat angles P-C4'-P energy: -122.815 tors. eta vs tors. theta energy: -225.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2581.652396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.652396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.652396 (E_RNA) where: Base-Base interactions energy: -1798.115 where: short stacking energy: -774.693 Base-Backbone interact. energy: -3.575 local terms energy: -779.962792 where: bonds (distance) C4'-P energy: -135.050 bonds (distance) P-C4' energy: -154.692 flat angles C4'-P-C4' energy: -163.000 flat angles P-C4'-P energy: -116.373 tors. eta vs tors. theta energy: -210.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2501.507559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.507559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.507559 (E_RNA) where: Base-Base interactions energy: -1796.721 where: short stacking energy: -734.272 Base-Backbone interact. energy: -5.708 local terms energy: -699.078893 where: bonds (distance) C4'-P energy: -114.617 bonds (distance) P-C4' energy: -150.827 flat angles C4'-P-C4' energy: -160.736 flat angles P-C4'-P energy: -88.759 tors. eta vs tors. theta energy: -184.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2267.699622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.699622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.699622 (E_RNA) where: Base-Base interactions energy: -1599.279 where: short stacking energy: -665.386 Base-Backbone interact. energy: -2.325 local terms energy: -666.095520 where: bonds (distance) C4'-P energy: -128.635 bonds (distance) P-C4' energy: -128.412 flat angles C4'-P-C4' energy: -150.525 flat angles P-C4'-P energy: -93.854 tors. eta vs tors. theta energy: -164.670 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: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -2059.747050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.747050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.747050 (E_RNA) where: Base-Base interactions energy: -1420.466 where: short stacking energy: -625.873 Base-Backbone interact. energy: -2.090 local terms energy: -637.190653 where: bonds (distance) C4'-P energy: -125.506 bonds (distance) P-C4' energy: -145.754 flat angles C4'-P-C4' energy: -144.010 flat angles P-C4'-P energy: -80.561 tors. eta vs tors. theta energy: -141.359 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: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1773.111634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.111634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.111634 (E_RNA) where: Base-Base interactions energy: -1225.159 where: short stacking energy: -513.272 Base-Backbone interact. energy: -1.554 local terms energy: -546.398925 where: bonds (distance) C4'-P energy: -108.762 bonds (distance) P-C4' energy: -118.993 flat angles C4'-P-C4' energy: -119.625 flat angles P-C4'-P energy: -92.159 tors. eta vs tors. theta energy: -106.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1507.399877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.399877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.399877 (E_RNA) where: Base-Base interactions energy: -1009.874 where: short stacking energy: -443.059 Base-Backbone interact. energy: 1.630 local terms energy: -499.155819 where: bonds (distance) C4'-P energy: -95.262 bonds (distance) P-C4' energy: -117.872 flat angles C4'-P-C4' energy: -134.123 flat angles P-C4'-P energy: -67.277 tors. eta vs tors. theta energy: -84.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2957.575560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.575560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.575560 (E_RNA) where: Base-Base interactions energy: -2102.263 where: short stacking energy: -877.671 Base-Backbone interact. energy: 1.758 local terms energy: -857.070119 where: bonds (distance) C4'-P energy: -161.273 bonds (distance) P-C4' energy: -169.476 flat angles C4'-P-C4' energy: -171.819 flat angles P-C4'-P energy: -115.595 tors. eta vs tors. theta energy: -238.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2893.309530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.309530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.309530 (E_RNA) where: Base-Base interactions energy: -2054.429 where: short stacking energy: -849.429 Base-Backbone interact. energy: 2.423 local terms energy: -841.303239 where: bonds (distance) C4'-P energy: -154.660 bonds (distance) P-C4' energy: -160.491 flat angles C4'-P-C4' energy: -178.312 flat angles P-C4'-P energy: -120.716 tors. eta vs tors. theta energy: -227.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2836.758010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.758010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.758010 (E_RNA) where: Base-Base interactions energy: -2001.527 where: short stacking energy: -857.513 Base-Backbone interact. energy: -1.684 local terms energy: -833.547610 where: bonds (distance) C4'-P energy: -147.403 bonds (distance) P-C4' energy: -160.843 flat angles C4'-P-C4' energy: -183.743 flat angles P-C4'-P energy: -119.261 tors. eta vs tors. theta energy: -222.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2775.095720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.095720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.095720 (E_RNA) where: Base-Base interactions energy: -1956.041 where: short stacking energy: -815.488 Base-Backbone interact. energy: -2.149 local terms energy: -816.906393 where: bonds (distance) C4'-P energy: -145.313 bonds (distance) P-C4' energy: -152.882 flat angles C4'-P-C4' energy: -165.564 flat angles P-C4'-P energy: -128.523 tors. eta vs tors. theta energy: -224.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2622.348470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.348470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.348470 (E_RNA) where: Base-Base interactions energy: -1849.346 where: short stacking energy: -803.491 Base-Backbone interact. energy: -1.062 local terms energy: -771.940588 where: bonds (distance) C4'-P energy: -133.774 bonds (distance) P-C4' energy: -148.864 flat angles C4'-P-C4' energy: -159.271 flat angles P-C4'-P energy: -115.280 tors. eta vs tors. theta energy: -214.752 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: 10 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2553.242972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.242972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.242972 (E_RNA) where: Base-Base interactions energy: -1827.916 where: short stacking energy: -753.525 Base-Backbone interact. energy: -1.347 local terms energy: -723.979725 where: bonds (distance) C4'-P energy: -132.648 bonds (distance) P-C4' energy: -149.503 flat angles C4'-P-C4' energy: -147.723 flat angles P-C4'-P energy: -102.170 tors. eta vs tors. theta energy: -191.935 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: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2231.276223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.276223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.276223 (E_RNA) where: Base-Base interactions energy: -1543.774 where: short stacking energy: -678.961 Base-Backbone interact. energy: -0.912 local terms energy: -686.590344 where: bonds (distance) C4'-P energy: -121.189 bonds (distance) P-C4' energy: -120.708 flat angles C4'-P-C4' energy: -170.112 flat angles P-C4'-P energy: -104.405 tors. eta vs tors. theta energy: -170.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -2079.200959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.200959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.200959 (E_RNA) where: Base-Base interactions energy: -1434.363 where: short stacking energy: -611.562 Base-Backbone interact. energy: -4.774 local terms energy: -640.063670 where: bonds (distance) C4'-P energy: -132.724 bonds (distance) P-C4' energy: -139.134 flat angles C4'-P-C4' energy: -138.416 flat angles P-C4'-P energy: -89.108 tors. eta vs tors. theta energy: -140.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1766.042219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.042219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.042219 (E_RNA) where: Base-Base interactions energy: -1204.604 where: short stacking energy: -517.134 Base-Backbone interact. energy: -1.215 local terms energy: -560.222960 where: bonds (distance) C4'-P energy: -131.767 bonds (distance) P-C4' energy: -122.536 flat angles C4'-P-C4' energy: -133.582 flat angles P-C4'-P energy: -73.355 tors. eta vs tors. theta energy: -98.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1435.208392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.208392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.208392 (E_RNA) where: Base-Base interactions energy: -928.366 where: short stacking energy: -419.735 Base-Backbone interact. energy: -0.938 local terms energy: -505.904692 where: bonds (distance) C4'-P energy: -107.570 bonds (distance) P-C4' energy: -123.674 flat angles C4'-P-C4' energy: -134.278 flat angles P-C4'-P energy: -80.998 tors. eta vs tors. theta energy: -59.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2963.321185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.321185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.321185 (E_RNA) where: Base-Base interactions energy: -2100.419 where: short stacking energy: -902.726 Base-Backbone interact. energy: -5.107 local terms energy: -857.794775 where: bonds (distance) C4'-P energy: -162.889 bonds (distance) P-C4' energy: -173.048 flat angles C4'-P-C4' energy: -175.221 flat angles P-C4'-P energy: -110.437 tors. eta vs tors. theta energy: -236.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2947.760736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.760736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.760736 (E_RNA) where: Base-Base interactions energy: -2099.713 where: short stacking energy: -902.826 Base-Backbone interact. energy: -3.354 local terms energy: -844.693196 where: bonds (distance) C4'-P energy: -151.596 bonds (distance) P-C4' energy: -159.819 flat angles C4'-P-C4' energy: -182.540 flat angles P-C4'-P energy: -116.679 tors. eta vs tors. theta energy: -234.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2843.445146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.445146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.445146 (E_RNA) where: Base-Base interactions energy: -2000.985 where: short stacking energy: -834.544 Base-Backbone interact. energy: -1.993 local terms energy: -840.466313 where: bonds (distance) C4'-P energy: -161.443 bonds (distance) P-C4' energy: -154.771 flat angles C4'-P-C4' energy: -181.833 flat angles P-C4'-P energy: -121.695 tors. eta vs tors. theta energy: -220.724 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: 3 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2802.508206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.508206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.508206 (E_RNA) where: Base-Base interactions energy: -2000.377 where: short stacking energy: -845.515 Base-Backbone interact. energy: -1.936 local terms energy: -800.194524 where: bonds (distance) C4'-P energy: -122.363 bonds (distance) P-C4' energy: -144.197 flat angles C4'-P-C4' energy: -174.397 flat angles P-C4'-P energy: -121.681 tors. eta vs tors. theta energy: -237.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2641.388508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.388508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.388508 (E_RNA) where: Base-Base interactions energy: -1863.428 where: short stacking energy: -808.338 Base-Backbone interact. energy: -4.904 local terms energy: -773.056336 where: bonds (distance) C4'-P energy: -128.990 bonds (distance) P-C4' energy: -134.619 flat angles C4'-P-C4' energy: -175.093 flat angles P-C4'-P energy: -120.081 tors. eta vs tors. theta energy: -214.275 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: 10 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2477.187146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.187146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.187146 (E_RNA) where: Base-Base interactions energy: -1786.599 where: short stacking energy: -737.138 Base-Backbone interact. energy: -0.453 local terms energy: -690.134674 where: bonds (distance) C4'-P energy: -141.243 bonds (distance) P-C4' energy: -129.244 flat angles C4'-P-C4' energy: -154.738 flat angles P-C4'-P energy: -89.663 tors. eta vs tors. theta energy: -175.248 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: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2190.409475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.409475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.409475 (E_RNA) where: Base-Base interactions energy: -1565.212 where: short stacking energy: -669.471 Base-Backbone interact. energy: 6.199 local terms energy: -631.396636 where: bonds (distance) C4'-P energy: -115.486 bonds (distance) P-C4' energy: -145.004 flat angles C4'-P-C4' energy: -134.492 flat angles P-C4'-P energy: -80.405 tors. eta vs tors. theta energy: -156.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -2081.909413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.909413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.909413 (E_RNA) where: Base-Base interactions energy: -1457.807 where: short stacking energy: -618.671 Base-Backbone interact. energy: 2.349 local terms energy: -626.451843 where: bonds (distance) C4'-P energy: -138.572 bonds (distance) P-C4' energy: -127.566 flat angles C4'-P-C4' energy: -128.791 flat angles P-C4'-P energy: -90.979 tors. eta vs tors. theta energy: -140.544 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: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1847.556045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.556045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.556045 (E_RNA) where: Base-Base interactions energy: -1269.542 where: short stacking energy: -549.734 Base-Backbone interact. energy: 1.671 local terms energy: -579.685170 where: bonds (distance) C4'-P energy: -105.785 bonds (distance) P-C4' energy: -147.825 flat angles C4'-P-C4' energy: -137.848 flat angles P-C4'-P energy: -77.493 tors. eta vs tors. theta energy: -110.735 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: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1544.055112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.055112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.055112 (E_RNA) where: Base-Base interactions energy: -1015.899 where: short stacking energy: -477.295 Base-Backbone interact. energy: 0.728 local terms energy: -528.883402 where: bonds (distance) C4'-P energy: -115.804 bonds (distance) P-C4' energy: -148.806 flat angles C4'-P-C4' energy: -128.253 flat angles P-C4'-P energy: -55.075 tors. eta vs tors. theta energy: -80.946 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: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2946.013215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.013215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.013215 (E_RNA) where: Base-Base interactions energy: -2094.780 where: short stacking energy: -889.501 Base-Backbone interact. energy: -6.432 local terms energy: -844.800598 where: bonds (distance) C4'-P energy: -157.509 bonds (distance) P-C4' energy: -141.415 flat angles C4'-P-C4' energy: -186.541 flat angles P-C4'-P energy: -126.344 tors. eta vs tors. theta energy: -232.992 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: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2934.254156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.254156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.254156 (E_RNA) where: Base-Base interactions energy: -2073.231 where: short stacking energy: -905.570 Base-Backbone interact. energy: -3.980 local terms energy: -857.043173 where: bonds (distance) C4'-P energy: -148.851 bonds (distance) P-C4' energy: -159.487 flat angles C4'-P-C4' energy: -182.731 flat angles P-C4'-P energy: -121.619 tors. eta vs tors. theta energy: -244.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2830.248970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.248970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.248970 (E_RNA) where: Base-Base interactions energy: -2016.994 where: short stacking energy: -822.834 Base-Backbone interact. energy: -2.420 local terms energy: -810.835111 where: bonds (distance) C4'-P energy: -154.448 bonds (distance) P-C4' energy: -148.723 flat angles C4'-P-C4' energy: -175.393 flat angles P-C4'-P energy: -114.232 tors. eta vs tors. theta energy: -218.040 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: 3 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2793.155754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.155754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.155754 (E_RNA) where: Base-Base interactions energy: -1998.188 where: short stacking energy: -823.321 Base-Backbone interact. energy: -5.554 local terms energy: -789.414166 where: bonds (distance) C4'-P energy: -148.485 bonds (distance) P-C4' energy: -142.927 flat angles C4'-P-C4' energy: -150.171 flat angles P-C4'-P energy: -123.528 tors. eta vs tors. theta energy: -224.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2582.701484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.701484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.701484 (E_RNA) where: Base-Base interactions energy: -1806.935 where: short stacking energy: -780.657 Base-Backbone interact. energy: -3.852 local terms energy: -771.914487 where: bonds (distance) C4'-P energy: -137.023 bonds (distance) P-C4' energy: -141.235 flat angles C4'-P-C4' energy: -164.691 flat angles P-C4'-P energy: -122.509 tors. eta vs tors. theta energy: -206.456 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: 6, replica: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2466.455780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.455780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.455780 (E_RNA) where: Base-Base interactions energy: -1742.327 where: short stacking energy: -714.790 Base-Backbone interact. energy: -2.180 local terms energy: -721.949496 where: bonds (distance) C4'-P energy: -138.432 bonds (distance) P-C4' energy: -146.219 flat angles C4'-P-C4' energy: -159.206 flat angles P-C4'-P energy: -96.952 tors. eta vs tors. theta energy: -181.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2170.459438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.459438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.459438 (E_RNA) where: Base-Base interactions energy: -1494.227 where: short stacking energy: -612.541 Base-Backbone interact. energy: 1.212 local terms energy: -677.444538 where: bonds (distance) C4'-P energy: -140.648 bonds (distance) P-C4' energy: -136.493 flat angles C4'-P-C4' energy: -160.190 flat angles P-C4'-P energy: -89.028 tors. eta vs tors. theta energy: -151.085 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: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -2072.197698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.197698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.197698 (E_RNA) where: Base-Base interactions energy: -1460.514 where: short stacking energy: -594.939 Base-Backbone interact. energy: -3.191 local terms energy: -608.492915 where: bonds (distance) C4'-P energy: -130.024 bonds (distance) P-C4' energy: -125.898 flat angles C4'-P-C4' energy: -152.325 flat angles P-C4'-P energy: -79.487 tors. eta vs tors. theta energy: -120.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1817.013762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.013762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.013762 (E_RNA) where: Base-Base interactions energy: -1236.837 where: short stacking energy: -550.577 Base-Backbone interact. energy: -3.366 local terms energy: -576.810953 where: bonds (distance) C4'-P energy: -101.665 bonds (distance) P-C4' energy: -135.071 flat angles C4'-P-C4' energy: -143.491 flat angles P-C4'-P energy: -81.649 tors. eta vs tors. theta energy: -114.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1533.499043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.499043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.499043 (E_RNA) where: Base-Base interactions energy: -983.880 where: short stacking energy: -457.782 Base-Backbone interact. energy: 2.761 local terms energy: -552.380110 where: bonds (distance) C4'-P energy: -114.961 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -133.019 flat angles P-C4'-P energy: -83.664 tors. eta vs tors. theta energy: -69.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2946.144271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.144271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.144271 (E_RNA) where: Base-Base interactions energy: -2093.703 where: short stacking energy: -867.705 Base-Backbone interact. energy: -3.568 local terms energy: -848.873182 where: bonds (distance) C4'-P energy: -158.582 bonds (distance) P-C4' energy: -158.432 flat angles C4'-P-C4' energy: -181.427 flat angles P-C4'-P energy: -118.289 tors. eta vs tors. theta energy: -232.143 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: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2922.172677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.172677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.172677 (E_RNA) where: Base-Base interactions energy: -2069.466 where: short stacking energy: -885.162 Base-Backbone interact. energy: -4.570 local terms energy: -848.136574 where: bonds (distance) C4'-P energy: -155.268 bonds (distance) P-C4' energy: -153.589 flat angles C4'-P-C4' energy: -178.646 flat angles P-C4'-P energy: -122.203 tors. eta vs tors. theta energy: -238.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2847.494219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.494219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.494219 (E_RNA) where: Base-Base interactions energy: -2036.821 where: short stacking energy: -836.988 Base-Backbone interact. energy: 0.235 local terms energy: -810.908778 where: bonds (distance) C4'-P energy: -151.532 bonds (distance) P-C4' energy: -161.404 flat angles C4'-P-C4' energy: -177.239 flat angles P-C4'-P energy: -106.299 tors. eta vs tors. theta energy: -214.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2771.283312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.283312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.283312 (E_RNA) where: Base-Base interactions energy: -1948.769 where: short stacking energy: -805.600 Base-Backbone interact. energy: -3.160 local terms energy: -819.354467 where: bonds (distance) C4'-P energy: -147.333 bonds (distance) P-C4' energy: -159.018 flat angles C4'-P-C4' energy: -175.321 flat angles P-C4'-P energy: -111.874 tors. eta vs tors. theta energy: -225.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2559.654532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.654532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.654532 (E_RNA) where: Base-Base interactions energy: -1799.840 where: short stacking energy: -756.996 Base-Backbone interact. energy: 1.911 local terms energy: -761.725375 where: bonds (distance) C4'-P energy: -137.985 bonds (distance) P-C4' energy: -153.604 flat angles C4'-P-C4' energy: -164.631 flat angles P-C4'-P energy: -101.792 tors. eta vs tors. theta energy: -203.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2460.208092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.208092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.208092 (E_RNA) where: Base-Base interactions energy: -1772.638 where: short stacking energy: -708.290 Base-Backbone interact. energy: -4.198 local terms energy: -683.372115 where: bonds (distance) C4'-P energy: -120.268 bonds (distance) P-C4' energy: -133.935 flat angles C4'-P-C4' energy: -167.195 flat angles P-C4'-P energy: -97.666 tors. eta vs tors. theta energy: -164.308 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: 7, replica: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2220.723068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.723068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.723068 (E_RNA) where: Base-Base interactions energy: -1576.640 where: short stacking energy: -666.432 Base-Backbone interact. energy: 0.163 local terms energy: -644.245714 where: bonds (distance) C4'-P energy: -115.234 bonds (distance) P-C4' energy: -135.010 flat angles C4'-P-C4' energy: -141.809 flat angles P-C4'-P energy: -100.373 tors. eta vs tors. theta energy: -151.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -2086.907353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.907353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.907353 (E_RNA) where: Base-Base interactions energy: -1454.766 where: short stacking energy: -626.267 Base-Backbone interact. energy: 0.593 local terms energy: -632.734386 where: bonds (distance) C4'-P energy: -127.987 bonds (distance) P-C4' energy: -126.030 flat angles C4'-P-C4' energy: -138.640 flat angles P-C4'-P energy: -108.684 tors. eta vs tors. theta energy: -131.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1778.031450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.031450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.031450 (E_RNA) where: Base-Base interactions energy: -1231.500 where: short stacking energy: -517.322 Base-Backbone interact. energy: 1.948 local terms energy: -548.479381 where: bonds (distance) C4'-P energy: -118.182 bonds (distance) P-C4' energy: -142.289 flat angles C4'-P-C4' energy: -135.438 flat angles P-C4'-P energy: -58.672 tors. eta vs tors. theta energy: -93.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1428.988788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.988788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.988788 (E_RNA) where: Base-Base interactions energy: -917.496 where: short stacking energy: -437.477 Base-Backbone interact. energy: -1.320 local terms energy: -510.172515 where: bonds (distance) C4'-P energy: -114.047 bonds (distance) P-C4' energy: -130.747 flat angles C4'-P-C4' energy: -126.202 flat angles P-C4'-P energy: -76.866 tors. eta vs tors. theta energy: -62.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2951.939346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.939346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.939346 (E_RNA) where: Base-Base interactions energy: -2077.289 where: short stacking energy: -858.160 Base-Backbone interact. energy: -1.551 local terms energy: -873.099760 where: bonds (distance) C4'-P energy: -160.766 bonds (distance) P-C4' energy: -163.769 flat angles C4'-P-C4' energy: -186.868 flat angles P-C4'-P energy: -132.357 tors. eta vs tors. theta energy: -229.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2901.355324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.355324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.355324 (E_RNA) where: Base-Base interactions energy: -2087.387 where: short stacking energy: -895.853 Base-Backbone interact. energy: -4.905 local terms energy: -809.063341 where: bonds (distance) C4'-P energy: -149.754 bonds (distance) P-C4' energy: -146.955 flat angles C4'-P-C4' energy: -176.716 flat angles P-C4'-P energy: -113.615 tors. eta vs tors. theta energy: -222.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2820.932717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.932717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.932717 (E_RNA) where: Base-Base interactions energy: -2016.748 where: short stacking energy: -880.066 Base-Backbone interact. energy: -1.880 local terms energy: -802.304732 where: bonds (distance) C4'-P energy: -160.031 bonds (distance) P-C4' energy: -135.456 flat angles C4'-P-C4' energy: -166.352 flat angles P-C4'-P energy: -104.596 tors. eta vs tors. theta energy: -235.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2804.904264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.904264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.904264 (E_RNA) where: Base-Base interactions energy: -1965.753 where: short stacking energy: -838.454 Base-Backbone interact. energy: 0.617 local terms energy: -839.767873 where: bonds (distance) C4'-P energy: -143.985 bonds (distance) P-C4' energy: -168.439 flat angles C4'-P-C4' energy: -180.560 flat angles P-C4'-P energy: -112.321 tors. eta vs tors. theta energy: -234.463 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: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2575.344925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.344925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.344925 (E_RNA) where: Base-Base interactions energy: -1787.449 where: short stacking energy: -793.971 Base-Backbone interact. energy: -3.457 local terms energy: -784.439016 where: bonds (distance) C4'-P energy: -141.657 bonds (distance) P-C4' energy: -149.009 flat angles C4'-P-C4' energy: -172.657 flat angles P-C4'-P energy: -109.175 tors. eta vs tors. theta energy: -211.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2498.643046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.643046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.643046 (E_RNA) where: Base-Base interactions energy: -1783.957 where: short stacking energy: -728.754 Base-Backbone interact. energy: -0.849 local terms energy: -713.836573 where: bonds (distance) C4'-P energy: -141.267 bonds (distance) P-C4' energy: -131.363 flat angles C4'-P-C4' energy: -156.096 flat angles P-C4'-P energy: -103.297 tors. eta vs tors. theta energy: -181.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2225.352015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.352015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.352015 (E_RNA) where: Base-Base interactions energy: -1560.761 where: short stacking energy: -649.874 Base-Backbone interact. energy: -1.992 local terms energy: -662.599425 where: bonds (distance) C4'-P energy: -130.990 bonds (distance) P-C4' energy: -137.987 flat angles C4'-P-C4' energy: -127.234 flat angles P-C4'-P energy: -115.319 tors. eta vs tors. theta energy: -151.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -2125.261311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.261311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.261311 (E_RNA) where: Base-Base interactions energy: -1488.423 where: short stacking energy: -621.288 Base-Backbone interact. energy: -1.286 local terms energy: -635.552830 where: bonds (distance) C4'-P energy: -124.934 bonds (distance) P-C4' energy: -128.293 flat angles C4'-P-C4' energy: -142.971 flat angles P-C4'-P energy: -94.894 tors. eta vs tors. theta energy: -144.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1813.699204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.699204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.699204 (E_RNA) where: Base-Base interactions energy: -1236.126 where: short stacking energy: -534.768 Base-Backbone interact. energy: 0.954 local terms energy: -578.527189 where: bonds (distance) C4'-P energy: -100.811 bonds (distance) P-C4' energy: -129.670 flat angles C4'-P-C4' energy: -164.189 flat angles P-C4'-P energy: -81.687 tors. eta vs tors. theta energy: -102.170 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: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1437.350392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.350392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.350392 (E_RNA) where: Base-Base interactions energy: -914.681 where: short stacking energy: -428.179 Base-Backbone interact. energy: -2.813 local terms energy: -519.856260 where: bonds (distance) C4'-P energy: -145.770 bonds (distance) P-C4' energy: -118.372 flat angles C4'-P-C4' energy: -115.533 flat angles P-C4'-P energy: -80.995 tors. eta vs tors. theta energy: -59.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2960.235860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.235860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.235860 (E_RNA) where: Base-Base interactions energy: -2098.858 where: short stacking energy: -879.921 Base-Backbone interact. energy: -3.013 local terms energy: -858.364829 where: bonds (distance) C4'-P energy: -154.308 bonds (distance) P-C4' energy: -165.444 flat angles C4'-P-C4' energy: -186.803 flat angles P-C4'-P energy: -130.803 tors. eta vs tors. theta energy: -221.008 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: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2915.431260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.431260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.431260 (E_RNA) where: Base-Base interactions energy: -2105.253 where: short stacking energy: -894.898 Base-Backbone interact. energy: -5.941 local terms energy: -804.237652 where: bonds (distance) C4'-P energy: -144.708 bonds (distance) P-C4' energy: -154.009 flat angles C4'-P-C4' energy: -173.076 flat angles P-C4'-P energy: -107.564 tors. eta vs tors. theta energy: -224.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2862.453387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.453387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.453387 (E_RNA) where: Base-Base interactions energy: -2030.451 where: short stacking energy: -860.237 Base-Backbone interact. energy: -3.975 local terms energy: -828.026974 where: bonds (distance) C4'-P energy: -152.614 bonds (distance) P-C4' energy: -162.891 flat angles C4'-P-C4' energy: -172.482 flat angles P-C4'-P energy: -111.610 tors. eta vs tors. theta energy: -228.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2807.825565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.825565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.825565 (E_RNA) where: Base-Base interactions energy: -1987.700 where: short stacking energy: -829.704 Base-Backbone interact. energy: -5.220 local terms energy: -814.906089 where: bonds (distance) C4'-P energy: -151.222 bonds (distance) P-C4' energy: -160.645 flat angles C4'-P-C4' energy: -159.802 flat angles P-C4'-P energy: -109.883 tors. eta vs tors. theta energy: -233.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2587.959671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.959671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.959671 (E_RNA) where: Base-Base interactions energy: -1851.039 where: short stacking energy: -777.514 Base-Backbone interact. energy: -4.945 local terms energy: -731.975339 where: bonds (distance) C4'-P energy: -127.491 bonds (distance) P-C4' energy: -146.222 flat angles C4'-P-C4' energy: -159.666 flat angles P-C4'-P energy: -96.734 tors. eta vs tors. theta energy: -201.863 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: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2518.011558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.011558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.011558 (E_RNA) where: Base-Base interactions energy: -1776.608 where: short stacking energy: -770.366 Base-Backbone interact. energy: -2.887 local terms energy: -738.515702 where: bonds (distance) C4'-P energy: -136.763 bonds (distance) P-C4' energy: -136.920 flat angles C4'-P-C4' energy: -158.631 flat angles P-C4'-P energy: -96.030 tors. eta vs tors. theta energy: -210.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2234.223623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.223623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.223623 (E_RNA) where: Base-Base interactions energy: -1581.942 where: short stacking energy: -666.426 Base-Backbone interact. energy: -4.048 local terms energy: -648.233651 where: bonds (distance) C4'-P energy: -118.220 bonds (distance) P-C4' energy: -149.921 flat angles C4'-P-C4' energy: -143.033 flat angles P-C4'-P energy: -99.488 tors. eta vs tors. theta energy: -137.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -2141.782277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.782277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.782277 (E_RNA) where: Base-Base interactions energy: -1491.008 where: short stacking energy: -622.054 Base-Backbone interact. energy: 2.807 local terms energy: -653.581511 where: bonds (distance) C4'-P energy: -147.658 bonds (distance) P-C4' energy: -138.797 flat angles C4'-P-C4' energy: -126.635 flat angles P-C4'-P energy: -92.965 tors. eta vs tors. theta energy: -147.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1778.636870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.636870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.636870 (E_RNA) where: Base-Base interactions energy: -1214.192 where: short stacking energy: -523.483 Base-Backbone interact. energy: 3.745 local terms energy: -568.190104 where: bonds (distance) C4'-P energy: -103.884 bonds (distance) P-C4' energy: -131.614 flat angles C4'-P-C4' energy: -114.353 flat angles P-C4'-P energy: -104.493 tors. eta vs tors. theta energy: -113.847 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: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1456.099966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.099966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.099966 (E_RNA) where: Base-Base interactions energy: -959.828 where: short stacking energy: -409.378 Base-Backbone interact. energy: 0.142 local terms energy: -496.414119 where: bonds (distance) C4'-P energy: -132.605 bonds (distance) P-C4' energy: -123.864 flat angles C4'-P-C4' energy: -106.398 flat angles P-C4'-P energy: -79.472 tors. eta vs tors. theta energy: -54.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2964.307069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.307069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.307069 (E_RNA) where: Base-Base interactions energy: -2105.881 where: short stacking energy: -893.672 Base-Backbone interact. energy: -4.178 local terms energy: -854.247816 where: bonds (distance) C4'-P energy: -153.495 bonds (distance) P-C4' energy: -152.815 flat angles C4'-P-C4' energy: -193.204 flat angles P-C4'-P energy: -128.544 tors. eta vs tors. theta energy: -226.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2888.814342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.814342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.814342 (E_RNA) where: Base-Base interactions energy: -2040.815 where: short stacking energy: -860.686 Base-Backbone interact. energy: -4.599 local terms energy: -843.399900 where: bonds (distance) C4'-P energy: -153.626 bonds (distance) P-C4' energy: -161.582 flat angles C4'-P-C4' energy: -171.571 flat angles P-C4'-P energy: -124.611 tors. eta vs tors. theta energy: -232.011 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: 317 Temperature: 1.000000 Total energy: -2829.328484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.328484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.328484 (E_RNA) where: Base-Base interactions energy: -2044.916 where: short stacking energy: -834.788 Base-Backbone interact. energy: 0.441 local terms energy: -784.852793 where: bonds (distance) C4'-P energy: -144.815 bonds (distance) P-C4' energy: -140.601 flat angles C4'-P-C4' energy: -171.065 flat angles P-C4'-P energy: -109.381 tors. eta vs tors. theta energy: -218.991 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: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2749.635441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.635441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.635441 (E_RNA) where: Base-Base interactions energy: -1945.170 where: short stacking energy: -802.731 Base-Backbone interact. energy: -2.632 local terms energy: -801.833382 where: bonds (distance) C4'-P energy: -148.644 bonds (distance) P-C4' energy: -149.961 flat angles C4'-P-C4' energy: -173.384 flat angles P-C4'-P energy: -108.361 tors. eta vs tors. theta energy: -221.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2592.071227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.071227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.071227 (E_RNA) where: Base-Base interactions energy: -1831.616 where: short stacking energy: -786.282 Base-Backbone interact. energy: -5.492 local terms energy: -754.963390 where: bonds (distance) C4'-P energy: -136.861 bonds (distance) P-C4' energy: -136.596 flat angles C4'-P-C4' energy: -161.685 flat angles P-C4'-P energy: -110.035 tors. eta vs tors. theta energy: -209.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2545.106010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.106010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.106010 (E_RNA) where: Base-Base interactions energy: -1791.662 where: short stacking energy: -767.939 Base-Backbone interact. energy: -2.262 local terms energy: -751.181762 where: bonds (distance) C4'-P energy: -129.399 bonds (distance) P-C4' energy: -161.804 flat angles C4'-P-C4' energy: -160.387 flat angles P-C4'-P energy: -91.655 tors. eta vs tors. theta energy: -207.936 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: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2237.940239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.940239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.940239 (E_RNA) where: Base-Base interactions energy: -1548.585 where: short stacking energy: -680.506 Base-Backbone interact. energy: -3.801 local terms energy: -685.554923 where: bonds (distance) C4'-P energy: -130.372 bonds (distance) P-C4' energy: -152.487 flat angles C4'-P-C4' energy: -154.341 flat angles P-C4'-P energy: -90.365 tors. eta vs tors. theta energy: -157.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -2211.985495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.985495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.985495 (E_RNA) where: Base-Base interactions energy: -1561.933 where: short stacking energy: -653.072 Base-Backbone interact. energy: -1.295 local terms energy: -648.757456 where: bonds (distance) C4'-P energy: -107.412 bonds (distance) P-C4' energy: -137.303 flat angles C4'-P-C4' energy: -151.546 flat angles P-C4'-P energy: -82.142 tors. eta vs tors. theta energy: -170.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1761.868166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.868166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.868166 (E_RNA) where: Base-Base interactions energy: -1239.696 where: short stacking energy: -535.242 Base-Backbone interact. energy: -0.796 local terms energy: -521.376798 where: bonds (distance) C4'-P energy: -111.379 bonds (distance) P-C4' energy: -125.544 flat angles C4'-P-C4' energy: -103.806 flat angles P-C4'-P energy: -73.166 tors. eta vs tors. theta energy: -107.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1420.004936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.004936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.004936 (E_RNA) where: Base-Base interactions energy: -918.400 where: short stacking energy: -412.341 Base-Backbone interact. energy: -2.610 local terms energy: -498.994053 where: bonds (distance) C4'-P energy: -121.722 bonds (distance) P-C4' energy: -123.565 flat angles C4'-P-C4' energy: -113.883 flat angles P-C4'-P energy: -77.977 tors. eta vs tors. theta energy: -61.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2993.179738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.179738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.179738 (E_RNA) where: Base-Base interactions energy: -2129.343 where: short stacking energy: -902.337 Base-Backbone interact. energy: -5.416 local terms energy: -858.421193 where: bonds (distance) C4'-P energy: -157.043 bonds (distance) P-C4' energy: -165.381 flat angles C4'-P-C4' energy: -180.813 flat angles P-C4'-P energy: -131.607 tors. eta vs tors. theta energy: -223.577 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: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2897.796458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.796458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.796458 (E_RNA) where: Base-Base interactions energy: -2071.044 where: short stacking energy: -898.682 Base-Backbone interact. energy: -2.745 local terms energy: -824.007378 where: bonds (distance) C4'-P energy: -142.048 bonds (distance) P-C4' energy: -151.533 flat angles C4'-P-C4' energy: -175.984 flat angles P-C4'-P energy: -120.244 tors. eta vs tors. theta energy: -234.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2839.808373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.808373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.808373 (E_RNA) where: Base-Base interactions energy: -2030.990 where: short stacking energy: -846.084 Base-Backbone interact. energy: 0.375 local terms energy: -809.193200 where: bonds (distance) C4'-P energy: -153.296 bonds (distance) P-C4' energy: -144.975 flat angles C4'-P-C4' energy: -181.930 flat angles P-C4'-P energy: -117.004 tors. eta vs tors. theta energy: -211.989 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: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2748.948716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.948716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.948716 (E_RNA) where: Base-Base interactions energy: -1964.840 where: short stacking energy: -827.369 Base-Backbone interact. energy: -2.063 local terms energy: -782.045767 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -141.140 flat angles C4'-P-C4' energy: -165.068 flat angles P-C4'-P energy: -110.306 tors. eta vs tors. theta energy: -221.192 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: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2603.276149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.276149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.276149 (E_RNA) where: Base-Base interactions energy: -1834.388 where: short stacking energy: -798.585 Base-Backbone interact. energy: -3.455 local terms energy: -765.433546 where: bonds (distance) C4'-P energy: -137.068 bonds (distance) P-C4' energy: -152.633 flat angles C4'-P-C4' energy: -166.323 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: -217.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2562.497213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.497213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.497213 (E_RNA) where: Base-Base interactions energy: -1807.561 where: short stacking energy: -787.781 Base-Backbone interact. energy: -6.963 local terms energy: -747.972778 where: bonds (distance) C4'-P energy: -124.482 bonds (distance) P-C4' energy: -144.912 flat angles C4'-P-C4' energy: -157.744 flat angles P-C4'-P energy: -99.932 tors. eta vs tors. theta energy: -220.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2319.134203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.134203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.134203 (E_RNA) where: Base-Base interactions energy: -1612.481 where: short stacking energy: -713.724 Base-Backbone interact. energy: -3.200 local terms energy: -703.453646 where: bonds (distance) C4'-P energy: -131.354 bonds (distance) P-C4' energy: -121.064 flat angles C4'-P-C4' energy: -170.901 flat angles P-C4'-P energy: -94.899 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: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -2212.818476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.818476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.818476 (E_RNA) where: Base-Base interactions energy: -1591.359 where: short stacking energy: -686.539 Base-Backbone interact. energy: 4.272 local terms energy: -625.731795 where: bonds (distance) C4'-P energy: -110.024 bonds (distance) P-C4' energy: -128.723 flat angles C4'-P-C4' energy: -141.404 flat angles P-C4'-P energy: -97.852 tors. eta vs tors. theta energy: -147.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1797.149904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.149904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.149904 (E_RNA) where: Base-Base interactions energy: -1228.277 where: short stacking energy: -552.117 Base-Backbone interact. energy: 1.382 local terms energy: -570.255746 where: bonds (distance) C4'-P energy: -116.075 bonds (distance) P-C4' energy: -116.829 flat angles C4'-P-C4' energy: -132.555 flat angles P-C4'-P energy: -105.827 tors. eta vs tors. theta energy: -98.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1420.118771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.118771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.118771 (E_RNA) where: Base-Base interactions energy: -900.724 where: short stacking energy: -407.442 Base-Backbone interact. energy: 1.979 local terms energy: -521.373486 where: bonds (distance) C4'-P energy: -102.392 bonds (distance) P-C4' energy: -133.749 flat angles C4'-P-C4' energy: -131.512 flat angles P-C4'-P energy: -84.567 tors. eta vs tors. theta energy: -69.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3007.570722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.570722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.570722 (E_RNA) where: Base-Base interactions energy: -2143.336 where: short stacking energy: -887.316 Base-Backbone interact. energy: -3.120 local terms energy: -861.114896 where: bonds (distance) C4'-P energy: -162.665 bonds (distance) P-C4' energy: -164.653 flat angles C4'-P-C4' energy: -180.904 flat angles P-C4'-P energy: -128.929 tors. eta vs tors. theta energy: -223.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2919.215511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.215511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.215511 (E_RNA) where: Base-Base interactions energy: -2069.381 where: short stacking energy: -881.553 Base-Backbone interact. energy: -2.038 local terms energy: -847.796578 where: bonds (distance) C4'-P energy: -147.750 bonds (distance) P-C4' energy: -161.414 flat angles C4'-P-C4' energy: -174.992 flat angles P-C4'-P energy: -131.876 tors. eta vs tors. theta energy: -231.765 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: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2853.462888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.462888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.462888 (E_RNA) where: Base-Base interactions energy: -2026.146 where: short stacking energy: -852.098 Base-Backbone interact. energy: -0.547 local terms energy: -826.769814 where: bonds (distance) C4'-P energy: -156.199 bonds (distance) P-C4' energy: -152.367 flat angles C4'-P-C4' energy: -173.184 flat angles P-C4'-P energy: -127.142 tors. eta vs tors. theta energy: -217.878 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: 3 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2757.579932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.579932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.579932 (E_RNA) where: Base-Base interactions energy: -2001.556 where: short stacking energy: -836.161 Base-Backbone interact. energy: -1.731 local terms energy: -754.293161 where: bonds (distance) C4'-P energy: -129.751 bonds (distance) P-C4' energy: -145.332 flat angles C4'-P-C4' energy: -153.926 flat angles P-C4'-P energy: -109.939 tors. eta vs tors. theta energy: -215.345 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: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2655.653423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.653423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.653423 (E_RNA) where: Base-Base interactions energy: -1916.844 where: short stacking energy: -798.514 Base-Backbone interact. energy: 2.997 local terms energy: -741.806638 where: bonds (distance) C4'-P energy: -154.181 bonds (distance) P-C4' energy: -115.749 flat angles C4'-P-C4' energy: -158.746 flat angles P-C4'-P energy: -117.121 tors. eta vs tors. theta energy: -196.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2516.828029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.828029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.828029 (E_RNA) where: Base-Base interactions energy: -1742.325 where: short stacking energy: -738.414 Base-Backbone interact. energy: -3.315 local terms energy: -771.187486 where: bonds (distance) C4'-P energy: -153.751 bonds (distance) P-C4' energy: -137.183 flat angles C4'-P-C4' energy: -162.035 flat angles P-C4'-P energy: -111.872 tors. eta vs tors. theta energy: -206.345 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: 319 Temperature: 1.200000 Total energy: -2317.805017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.805017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.805017 (E_RNA) where: Base-Base interactions energy: -1624.884 where: short stacking energy: -645.806 Base-Backbone interact. energy: 0.056 local terms energy: -692.976527 where: bonds (distance) C4'-P energy: -123.924 bonds (distance) P-C4' energy: -149.305 flat angles C4'-P-C4' energy: -155.370 flat angles P-C4'-P energy: -93.415 tors. eta vs tors. theta energy: -170.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -2053.277689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.277689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.277689 (E_RNA) where: Base-Base interactions energy: -1436.051 where: short stacking energy: -614.320 Base-Backbone interact. energy: 9.282 local terms energy: -626.508680 where: bonds (distance) C4'-P energy: -130.169 bonds (distance) P-C4' energy: -145.909 flat angles C4'-P-C4' energy: -129.073 flat angles P-C4'-P energy: -95.870 tors. eta vs tors. theta energy: -125.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1741.747060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.747060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.747060 (E_RNA) where: Base-Base interactions energy: -1139.121 where: short stacking energy: -533.908 Base-Backbone interact. energy: 1.940 local terms energy: -604.565461 where: bonds (distance) C4'-P energy: -122.348 bonds (distance) P-C4' energy: -149.591 flat angles C4'-P-C4' energy: -148.147 flat angles P-C4'-P energy: -84.328 tors. eta vs tors. theta energy: -100.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1451.844644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.844644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.844644 (E_RNA) where: Base-Base interactions energy: -939.633 where: short stacking energy: -442.837 Base-Backbone interact. energy: 1.027 local terms energy: -513.238188 where: bonds (distance) C4'-P energy: -104.405 bonds (distance) P-C4' energy: -134.707 flat angles C4'-P-C4' energy: -108.077 flat angles P-C4'-P energy: -74.327 tors. eta vs tors. theta energy: -91.722 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: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2976.239019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.239019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.239019 (E_RNA) where: Base-Base interactions energy: -2150.496 where: short stacking energy: -874.753 Base-Backbone interact. energy: -3.319 local terms energy: -822.424076 where: bonds (distance) C4'-P energy: -146.382 bonds (distance) P-C4' energy: -148.621 flat angles C4'-P-C4' energy: -185.338 flat angles P-C4'-P energy: -121.480 tors. eta vs tors. theta energy: -220.604 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: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2955.470889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.470889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.470889 (E_RNA) where: Base-Base interactions energy: -2105.241 where: short stacking energy: -854.412 Base-Backbone interact. energy: -4.810 local terms energy: -845.419616 where: bonds (distance) C4'-P energy: -138.693 bonds (distance) P-C4' energy: -170.894 flat angles C4'-P-C4' energy: -185.308 flat angles P-C4'-P energy: -127.111 tors. eta vs tors. theta energy: -223.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2798.116060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.116060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.116060 (E_RNA) where: Base-Base interactions energy: -1978.381 where: short stacking energy: -834.693 Base-Backbone interact. energy: -3.285 local terms energy: -816.450327 where: bonds (distance) C4'-P energy: -143.620 bonds (distance) P-C4' energy: -153.401 flat angles C4'-P-C4' energy: -174.041 flat angles P-C4'-P energy: -125.286 tors. eta vs tors. theta energy: -220.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2758.247663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.247663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.247663 (E_RNA) where: Base-Base interactions energy: -1987.017 where: short stacking energy: -788.244 Base-Backbone interact. energy: -0.338 local terms energy: -770.892968 where: bonds (distance) C4'-P energy: -150.735 bonds (distance) P-C4' energy: -147.994 flat angles C4'-P-C4' energy: -158.725 flat angles P-C4'-P energy: -96.071 tors. eta vs tors. theta energy: -217.367 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: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2629.473417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.473417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.473417 (E_RNA) where: Base-Base interactions energy: -1858.480 where: short stacking energy: -788.464 Base-Backbone interact. energy: -2.636 local terms energy: -768.357378 where: bonds (distance) C4'-P energy: -141.344 bonds (distance) P-C4' energy: -138.929 flat angles C4'-P-C4' energy: -173.966 flat angles P-C4'-P energy: -113.926 tors. eta vs tors. theta energy: -200.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2540.593022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.593022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.593022 (E_RNA) where: Base-Base interactions energy: -1800.424 where: short stacking energy: -778.384 Base-Backbone interact. energy: -1.313 local terms energy: -738.856276 where: bonds (distance) C4'-P energy: -129.374 bonds (distance) P-C4' energy: -123.690 flat angles C4'-P-C4' energy: -166.681 flat angles P-C4'-P energy: -112.066 tors. eta vs tors. theta energy: -207.045 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: 320 Temperature: 1.200000 Total energy: -2351.187409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.187409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.187409 (E_RNA) where: Base-Base interactions energy: -1670.246 where: short stacking energy: -708.313 Base-Backbone interact. energy: -1.051 local terms energy: -679.890182 where: bonds (distance) C4'-P energy: -120.703 bonds (distance) P-C4' energy: -140.715 flat angles C4'-P-C4' energy: -152.117 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -196.645 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: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -2094.700520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.700520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.700520 (E_RNA) where: Base-Base interactions energy: -1495.128 where: short stacking energy: -600.680 Base-Backbone interact. energy: -3.694 local terms energy: -595.877814 where: bonds (distance) C4'-P energy: -115.459 bonds (distance) P-C4' energy: -137.364 flat angles C4'-P-C4' energy: -139.152 flat angles P-C4'-P energy: -77.798 tors. eta vs tors. theta energy: -126.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1782.651250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.651250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.651250 (E_RNA) where: Base-Base interactions energy: -1211.471 where: short stacking energy: -505.069 Base-Backbone interact. energy: 1.502 local terms energy: -572.682453 where: bonds (distance) C4'-P energy: -115.661 bonds (distance) P-C4' energy: -142.042 flat angles C4'-P-C4' energy: -144.177 flat angles P-C4'-P energy: -87.192 tors. eta vs tors. theta energy: -83.610 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: 8 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1392.415073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.415073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.415073 (E_RNA) where: Base-Base interactions energy: -892.905 where: short stacking energy: -420.533 Base-Backbone interact. energy: -0.584 local terms energy: -498.926572 where: bonds (distance) C4'-P energy: -105.994 bonds (distance) P-C4' energy: -137.396 flat angles C4'-P-C4' energy: -132.304 flat angles P-C4'-P energy: -61.124 tors. eta vs tors. theta energy: -62.108 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: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2985.394232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.394232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.394232 (E_RNA) where: Base-Base interactions energy: -2146.511 where: short stacking energy: -889.387 Base-Backbone interact. energy: -0.877 local terms energy: -838.006957 where: bonds (distance) C4'-P energy: -158.214 bonds (distance) P-C4' energy: -153.702 flat angles C4'-P-C4' energy: -187.747 flat angles P-C4'-P energy: -113.331 tors. eta vs tors. theta energy: -225.012 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: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2918.678849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.678849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.678849 (E_RNA) where: Base-Base interactions energy: -2074.445 where: short stacking energy: -870.886 Base-Backbone interact. energy: -4.075 local terms energy: -840.158748 where: bonds (distance) C4'-P energy: -156.778 bonds (distance) P-C4' energy: -161.897 flat angles C4'-P-C4' energy: -178.225 flat angles P-C4'-P energy: -113.864 tors. eta vs tors. theta energy: -229.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2824.027372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.027372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.027372 (E_RNA) where: Base-Base interactions energy: -2011.551 where: short stacking energy: -825.888 Base-Backbone interact. energy: -5.767 local terms energy: -806.709621 where: bonds (distance) C4'-P energy: -148.205 bonds (distance) P-C4' energy: -151.691 flat angles C4'-P-C4' energy: -186.021 flat angles P-C4'-P energy: -105.621 tors. eta vs tors. theta energy: -215.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2743.436822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.436822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.436822 (E_RNA) where: Base-Base interactions energy: -1965.802 where: short stacking energy: -817.486 Base-Backbone interact. energy: -2.214 local terms energy: -775.420762 where: bonds (distance) C4'-P energy: -125.404 bonds (distance) P-C4' energy: -151.364 flat angles C4'-P-C4' energy: -186.042 flat angles P-C4'-P energy: -94.289 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: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2613.132654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.132654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.132654 (E_RNA) where: Base-Base interactions energy: -1867.028 where: short stacking energy: -768.256 Base-Backbone interact. energy: 2.925 local terms energy: -749.030040 where: bonds (distance) C4'-P energy: -142.589 bonds (distance) P-C4' energy: -146.288 flat angles C4'-P-C4' energy: -163.775 flat angles P-C4'-P energy: -100.252 tors. eta vs tors. theta energy: -196.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2579.719896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.719896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.719896 (E_RNA) where: Base-Base interactions energy: -1815.189 where: short stacking energy: -812.772 Base-Backbone interact. energy: -5.422 local terms energy: -759.109244 where: bonds (distance) C4'-P energy: -121.383 bonds (distance) P-C4' energy: -132.845 flat angles C4'-P-C4' energy: -167.919 flat angles P-C4'-P energy: -113.358 tors. eta vs tors. theta energy: -223.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2328.639601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.639601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.639601 (E_RNA) where: Base-Base interactions energy: -1624.375 where: short stacking energy: -683.171 Base-Backbone interact. energy: -2.199 local terms energy: -702.065677 where: bonds (distance) C4'-P energy: -134.909 bonds (distance) P-C4' energy: -150.333 flat angles C4'-P-C4' energy: -157.217 flat angles P-C4'-P energy: -83.577 tors. eta vs tors. theta energy: -176.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -2052.874630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.874630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.874630 (E_RNA) where: Base-Base interactions energy: -1423.621 where: short stacking energy: -600.681 Base-Backbone interact. energy: 1.660 local terms energy: -630.913264 where: bonds (distance) C4'-P energy: -129.316 bonds (distance) P-C4' energy: -137.025 flat angles C4'-P-C4' energy: -136.899 flat angles P-C4'-P energy: -73.779 tors. eta vs tors. theta energy: -153.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1764.811856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.811856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.811856 (E_RNA) where: Base-Base interactions energy: -1187.443 where: short stacking energy: -526.617 Base-Backbone interact. energy: -2.434 local terms energy: -574.935052 where: bonds (distance) C4'-P energy: -108.925 bonds (distance) P-C4' energy: -119.761 flat angles C4'-P-C4' energy: -137.495 flat angles P-C4'-P energy: -89.137 tors. eta vs tors. theta energy: -119.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1381.745660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.745660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.745660 (E_RNA) where: Base-Base interactions energy: -875.607 where: short stacking energy: -430.102 Base-Backbone interact. energy: -1.848 local terms energy: -504.289959 where: bonds (distance) C4'-P energy: -112.019 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -112.213 flat angles P-C4'-P energy: -88.198 tors. eta vs tors. theta energy: -61.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3004.459745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.459745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.459745 (E_RNA) where: Base-Base interactions energy: -2153.703 where: short stacking energy: -866.820 Base-Backbone interact. energy: -4.060 local terms energy: -846.696932 where: bonds (distance) C4'-P energy: -149.740 bonds (distance) P-C4' energy: -152.607 flat angles C4'-P-C4' energy: -193.064 flat angles P-C4'-P energy: -124.696 tors. eta vs tors. theta energy: -226.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2934.484558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.484558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.484558 (E_RNA) where: Base-Base interactions energy: -2086.063 where: short stacking energy: -873.179 Base-Backbone interact. energy: -6.165 local terms energy: -842.256648 where: bonds (distance) C4'-P energy: -154.888 bonds (distance) P-C4' energy: -160.042 flat angles C4'-P-C4' energy: -173.195 flat angles P-C4'-P energy: -122.034 tors. eta vs tors. theta energy: -232.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2806.033667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.033667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.033667 (E_RNA) where: Base-Base interactions energy: -2016.269 where: short stacking energy: -836.489 Base-Backbone interact. energy: 3.216 local terms energy: -792.979898 where: bonds (distance) C4'-P energy: -159.087 bonds (distance) P-C4' energy: -138.739 flat angles C4'-P-C4' energy: -174.199 flat angles P-C4'-P energy: -105.581 tors. eta vs tors. theta energy: -215.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2716.957710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.957710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.957710 (E_RNA) where: Base-Base interactions energy: -1939.369 where: short stacking energy: -791.666 Base-Backbone interact. energy: -2.035 local terms energy: -775.553695 where: bonds (distance) C4'-P energy: -142.354 bonds (distance) P-C4' energy: -161.960 flat angles C4'-P-C4' energy: -163.543 flat angles P-C4'-P energy: -97.645 tors. eta vs tors. theta energy: -210.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2644.774192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.774192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.774192 (E_RNA) where: Base-Base interactions energy: -1851.420 where: short stacking energy: -802.741 Base-Backbone interact. energy: -2.919 local terms energy: -790.435127 where: bonds (distance) C4'-P energy: -144.214 bonds (distance) P-C4' energy: -146.250 flat angles C4'-P-C4' energy: -182.099 flat angles P-C4'-P energy: -102.240 tors. eta vs tors. theta energy: -215.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2552.316289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.316289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.316289 (E_RNA) where: Base-Base interactions energy: -1870.503 where: short stacking energy: -754.749 Base-Backbone interact. energy: -3.803 local terms energy: -678.010846 where: bonds (distance) C4'-P energy: -130.697 bonds (distance) P-C4' energy: -118.031 flat angles C4'-P-C4' energy: -149.030 flat angles P-C4'-P energy: -101.515 tors. eta vs tors. theta energy: -178.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2345.782811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.782811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.782811 (E_RNA) where: Base-Base interactions energy: -1658.204 where: short stacking energy: -695.820 Base-Backbone interact. energy: -3.022 local terms energy: -684.556609 where: bonds (distance) C4'-P energy: -113.361 bonds (distance) P-C4' energy: -141.255 flat angles C4'-P-C4' energy: -153.524 flat angles P-C4'-P energy: -100.542 tors. eta vs tors. theta energy: -175.875 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: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -2085.278277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.278277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.278277 (E_RNA) where: Base-Base interactions energy: -1454.073 where: short stacking energy: -621.854 Base-Backbone interact. energy: 0.667 local terms energy: -631.872472 where: bonds (distance) C4'-P energy: -136.266 bonds (distance) P-C4' energy: -132.144 flat angles C4'-P-C4' energy: -151.462 flat angles P-C4'-P energy: -83.929 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: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1773.494886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.494886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.494886 (E_RNA) where: Base-Base interactions energy: -1193.896 where: short stacking energy: -519.856 Base-Backbone interact. energy: 2.682 local terms energy: -582.280793 where: bonds (distance) C4'-P energy: -123.930 bonds (distance) P-C4' energy: -142.136 flat angles C4'-P-C4' energy: -148.799 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -94.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1388.220703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.220703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.220703 (E_RNA) where: Base-Base interactions energy: -870.862 where: short stacking energy: -408.616 Base-Backbone interact. energy: 2.341 local terms energy: -519.699697 where: bonds (distance) C4'-P energy: -120.248 bonds (distance) P-C4' energy: -121.914 flat angles C4'-P-C4' energy: -140.778 flat angles P-C4'-P energy: -77.836 tors. eta vs tors. theta energy: -58.923 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: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3012.837976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.837976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.837976 (E_RNA) where: Base-Base interactions energy: -2141.274 where: short stacking energy: -862.669 Base-Backbone interact. energy: -3.167 local terms energy: -868.397354 where: bonds (distance) C4'-P energy: -157.676 bonds (distance) P-C4' energy: -162.089 flat angles C4'-P-C4' energy: -194.619 flat angles P-C4'-P energy: -124.886 tors. eta vs tors. theta energy: -229.127 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: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2895.993255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.993255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.993255 (E_RNA) where: Base-Base interactions energy: -2079.659 where: short stacking energy: -884.676 Base-Backbone interact. energy: -7.237 local terms energy: -809.097266 where: bonds (distance) C4'-P energy: -148.601 bonds (distance) P-C4' energy: -144.178 flat angles C4'-P-C4' energy: -183.479 flat angles P-C4'-P energy: -116.990 tors. eta vs tors. theta energy: -215.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2804.020727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.020727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.020727 (E_RNA) where: Base-Base interactions energy: -1970.868 where: short stacking energy: -822.679 Base-Backbone interact. energy: -6.602 local terms energy: -826.551665 where: bonds (distance) C4'-P energy: -161.392 bonds (distance) P-C4' energy: -159.814 flat angles C4'-P-C4' energy: -166.598 flat angles P-C4'-P energy: -118.667 tors. eta vs tors. theta energy: -220.081 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: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2759.757806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.757806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.757806 (E_RNA) where: Base-Base interactions energy: -1943.604 where: short stacking energy: -778.887 Base-Backbone interact. energy: -2.159 local terms energy: -813.994586 where: bonds (distance) C4'-P energy: -155.739 bonds (distance) P-C4' energy: -168.399 flat angles C4'-P-C4' energy: -163.096 flat angles P-C4'-P energy: -112.354 tors. eta vs tors. theta energy: -214.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2608.882489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.882489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.882489 (E_RNA) where: Base-Base interactions energy: -1812.974 where: short stacking energy: -783.019 Base-Backbone interact. energy: -1.997 local terms energy: -793.911557 where: bonds (distance) C4'-P energy: -155.208 bonds (distance) P-C4' energy: -145.380 flat angles C4'-P-C4' energy: -163.106 flat angles P-C4'-P energy: -112.572 tors. eta vs tors. theta energy: -217.645 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: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2566.578387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.578387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.578387 (E_RNA) where: Base-Base interactions energy: -1840.706 where: short stacking energy: -745.986 Base-Backbone interact. energy: -1.587 local terms energy: -724.285555 where: bonds (distance) C4'-P energy: -141.524 bonds (distance) P-C4' energy: -127.666 flat angles C4'-P-C4' energy: -158.913 flat angles P-C4'-P energy: -109.967 tors. eta vs tors. theta energy: -186.214 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: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2330.155666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.155666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.155666 (E_RNA) where: Base-Base interactions energy: -1611.521 where: short stacking energy: -654.914 Base-Backbone interact. energy: -5.898 local terms energy: -712.736708 where: bonds (distance) C4'-P energy: -156.816 bonds (distance) P-C4' energy: -147.093 flat angles C4'-P-C4' energy: -158.331 flat angles P-C4'-P energy: -93.202 tors. eta vs tors. theta energy: -157.295 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: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -2087.678473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.678473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.678473 (E_RNA) where: Base-Base interactions energy: -1473.303 where: short stacking energy: -613.435 Base-Backbone interact. energy: 4.725 local terms energy: -619.100247 where: bonds (distance) C4'-P energy: -126.549 bonds (distance) P-C4' energy: -143.549 flat angles C4'-P-C4' energy: -134.164 flat angles P-C4'-P energy: -81.141 tors. eta vs tors. theta energy: -133.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1847.312617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.312617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.312617 (E_RNA) where: Base-Base interactions energy: -1256.913 where: short stacking energy: -581.968 Base-Backbone interact. energy: 0.676 local terms energy: -591.075603 where: bonds (distance) C4'-P energy: -135.600 bonds (distance) P-C4' energy: -112.332 flat angles C4'-P-C4' energy: -140.359 flat angles P-C4'-P energy: -72.147 tors. eta vs tors. theta energy: -130.637 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: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1393.188795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.188795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.188795 (E_RNA) where: Base-Base interactions energy: -878.562 where: short stacking energy: -415.253 Base-Backbone interact. energy: 1.528 local terms energy: -516.154806 where: bonds (distance) C4'-P energy: -120.950 bonds (distance) P-C4' energy: -117.515 flat angles C4'-P-C4' energy: -132.390 flat angles P-C4'-P energy: -78.967 tors. eta vs tors. theta energy: -66.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2999.720242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.720242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.720242 (E_RNA) where: Base-Base interactions energy: -2139.774 where: short stacking energy: -915.205 Base-Backbone interact. energy: -0.465 local terms energy: -859.480484 where: bonds (distance) C4'-P energy: -135.597 bonds (distance) P-C4' energy: -175.789 flat angles C4'-P-C4' energy: -188.310 flat angles P-C4'-P energy: -121.205 tors. eta vs tors. theta energy: -238.579 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: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2912.254979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.254979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.254979 (E_RNA) where: Base-Base interactions energy: -2059.843 where: short stacking energy: -841.816 Base-Backbone interact. energy: -3.770 local terms energy: -848.642662 where: bonds (distance) C4'-P energy: -148.118 bonds (distance) P-C4' energy: -168.909 flat angles C4'-P-C4' energy: -184.691 flat angles P-C4'-P energy: -122.625 tors. eta vs tors. theta energy: -224.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2794.567204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.567204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.567204 (E_RNA) where: Base-Base interactions energy: -2002.764 where: short stacking energy: -817.138 Base-Backbone interact. energy: -3.011 local terms energy: -788.792461 where: bonds (distance) C4'-P energy: -143.142 bonds (distance) P-C4' energy: -146.150 flat angles C4'-P-C4' energy: -161.112 flat angles P-C4'-P energy: -120.136 tors. eta vs tors. theta energy: -218.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2739.228930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.228930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.228930 (E_RNA) where: Base-Base interactions energy: -1952.875 where: short stacking energy: -835.044 Base-Backbone interact. energy: -0.863 local terms energy: -785.491818 where: bonds (distance) C4'-P energy: -138.400 bonds (distance) P-C4' energy: -146.333 flat angles C4'-P-C4' energy: -170.127 flat angles P-C4'-P energy: -115.853 tors. eta vs tors. theta energy: -214.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2666.453133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.453133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.453133 (E_RNA) where: Base-Base interactions energy: -1856.395 where: short stacking energy: -807.598 Base-Backbone interact. energy: 3.602 local terms energy: -813.660342 where: bonds (distance) C4'-P energy: -147.385 bonds (distance) P-C4' energy: -153.570 flat angles C4'-P-C4' energy: -171.700 flat angles P-C4'-P energy: -121.295 tors. eta vs tors. theta energy: -219.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2535.768019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.768019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.768019 (E_RNA) where: Base-Base interactions energy: -1814.084 where: short stacking energy: -744.538 Base-Backbone interact. energy: -0.188 local terms energy: -721.496602 where: bonds (distance) C4'-P energy: -136.763 bonds (distance) P-C4' energy: -129.250 flat angles C4'-P-C4' energy: -168.264 flat angles P-C4'-P energy: -108.268 tors. eta vs tors. theta energy: -178.951 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: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2367.861811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.861811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.861811 (E_RNA) where: Base-Base interactions energy: -1672.451 where: short stacking energy: -697.946 Base-Backbone interact. energy: 0.213 local terms energy: -695.623208 where: bonds (distance) C4'-P energy: -119.156 bonds (distance) P-C4' energy: -130.666 flat angles C4'-P-C4' energy: -164.287 flat angles P-C4'-P energy: -100.987 tors. eta vs tors. theta energy: -180.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -2146.651277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.651277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.651277 (E_RNA) where: Base-Base interactions energy: -1525.751 where: short stacking energy: -629.988 Base-Backbone interact. energy: -2.325 local terms energy: -618.576077 where: bonds (distance) C4'-P energy: -120.505 bonds (distance) P-C4' energy: -127.618 flat angles C4'-P-C4' energy: -141.537 flat angles P-C4'-P energy: -77.759 tors. eta vs tors. theta energy: -151.157 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: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1899.352637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.352637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.352637 (E_RNA) where: Base-Base interactions energy: -1307.410 where: short stacking energy: -559.444 Base-Backbone interact. energy: -1.653 local terms energy: -590.289536 where: bonds (distance) C4'-P energy: -120.832 bonds (distance) P-C4' energy: -128.056 flat angles C4'-P-C4' energy: -120.064 flat angles P-C4'-P energy: -99.332 tors. eta vs tors. theta energy: -122.005 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: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1431.052115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.052115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.052115 (E_RNA) where: Base-Base interactions energy: -925.402 where: short stacking energy: -412.276 Base-Backbone interact. energy: -1.275 local terms energy: -504.375087 where: bonds (distance) C4'-P energy: -119.245 bonds (distance) P-C4' energy: -109.609 flat angles C4'-P-C4' energy: -135.493 flat angles P-C4'-P energy: -79.107 tors. eta vs tors. theta energy: -60.920 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: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3014.752623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.752623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.752623 (E_RNA) where: Base-Base interactions energy: -2147.800 where: short stacking energy: -887.623 Base-Backbone interact. energy: -2.755 local terms energy: -864.197794 where: bonds (distance) C4'-P energy: -158.751 bonds (distance) P-C4' energy: -154.914 flat angles C4'-P-C4' energy: -191.458 flat angles P-C4'-P energy: -124.074 tors. eta vs tors. theta energy: -235.001 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: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2916.262138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.262138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.262138 (E_RNA) where: Base-Base interactions energy: -2074.219 where: short stacking energy: -846.228 Base-Backbone interact. energy: -3.465 local terms energy: -838.578740 where: bonds (distance) C4'-P energy: -146.580 bonds (distance) P-C4' energy: -172.299 flat angles C4'-P-C4' energy: -184.184 flat angles P-C4'-P energy: -113.531 tors. eta vs tors. theta energy: -221.985 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: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2838.454946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.454946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.454946 (E_RNA) where: Base-Base interactions energy: -2004.025 where: short stacking energy: -824.638 Base-Backbone interact. energy: -2.620 local terms energy: -831.810500 where: bonds (distance) C4'-P energy: -160.410 bonds (distance) P-C4' energy: -152.693 flat angles C4'-P-C4' energy: -177.345 flat angles P-C4'-P energy: -117.449 tors. eta vs tors. theta energy: -223.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2737.384562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.384562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.384562 (E_RNA) where: Base-Base interactions energy: -1945.897 where: short stacking energy: -812.434 Base-Backbone interact. energy: -2.584 local terms energy: -788.903553 where: bonds (distance) C4'-P energy: -144.949 bonds (distance) P-C4' energy: -155.203 flat angles C4'-P-C4' energy: -167.164 flat angles P-C4'-P energy: -108.678 tors. eta vs tors. theta energy: -212.909 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: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2602.997910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.997910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.997910 (E_RNA) where: Base-Base interactions energy: -1833.188 where: short stacking energy: -785.517 Base-Backbone interact. energy: -0.584 local terms energy: -769.225955 where: bonds (distance) C4'-P energy: -128.137 bonds (distance) P-C4' energy: -158.699 flat angles C4'-P-C4' energy: -164.798 flat angles P-C4'-P energy: -98.022 tors. eta vs tors. theta energy: -219.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2538.480283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.480283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.480283 (E_RNA) where: Base-Base interactions energy: -1795.590 where: short stacking energy: -750.981 Base-Backbone interact. energy: -5.719 local terms energy: -737.171647 where: bonds (distance) C4'-P energy: -128.771 bonds (distance) P-C4' energy: -152.918 flat angles C4'-P-C4' energy: -151.101 flat angles P-C4'-P energy: -109.131 tors. eta vs tors. theta energy: -195.250 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: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2363.377456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.377456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.377456 (E_RNA) where: Base-Base interactions energy: -1659.484 where: short stacking energy: -691.645 Base-Backbone interact. energy: -5.793 local terms energy: -698.100921 where: bonds (distance) C4'-P energy: -140.713 bonds (distance) P-C4' energy: -132.278 flat angles C4'-P-C4' energy: -154.361 flat angles P-C4'-P energy: -104.543 tors. eta vs tors. theta energy: -166.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -2085.019157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.019157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.019157 (E_RNA) where: Base-Base interactions energy: -1447.835 where: short stacking energy: -596.438 Base-Backbone interact. energy: -3.806 local terms energy: -633.377509 where: bonds (distance) C4'-P energy: -123.180 bonds (distance) P-C4' energy: -140.608 flat angles C4'-P-C4' energy: -156.221 flat angles P-C4'-P energy: -75.774 tors. eta vs tors. theta energy: -137.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1926.987273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.987273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.987273 (E_RNA) where: Base-Base interactions energy: -1330.826 where: short stacking energy: -603.152 Base-Backbone interact. energy: -0.418 local terms energy: -595.743117 where: bonds (distance) C4'-P energy: -116.944 bonds (distance) P-C4' energy: -111.288 flat angles C4'-P-C4' energy: -148.964 flat angles P-C4'-P energy: -77.567 tors. eta vs tors. theta energy: -140.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1486.642522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.642522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.642522 (E_RNA) where: Base-Base interactions energy: -982.023 where: short stacking energy: -440.996 Base-Backbone interact. energy: 4.705 local terms energy: -509.324552 where: bonds (distance) C4'-P energy: -122.746 bonds (distance) P-C4' energy: -132.030 flat angles C4'-P-C4' energy: -115.591 flat angles P-C4'-P energy: -75.431 tors. eta vs tors. theta energy: -63.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2989.060432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.060432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.060432 (E_RNA) where: Base-Base interactions energy: -2151.923 where: short stacking energy: -898.087 Base-Backbone interact. energy: -5.876 local terms energy: -831.261385 where: bonds (distance) C4'-P energy: -155.805 bonds (distance) P-C4' energy: -154.282 flat angles C4'-P-C4' energy: -177.439 flat angles P-C4'-P energy: -121.888 tors. eta vs tors. theta energy: -221.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2927.305846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.305846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.305846 (E_RNA) where: Base-Base interactions energy: -2076.965 where: short stacking energy: -875.552 Base-Backbone interact. energy: -5.279 local terms energy: -845.061676 where: bonds (distance) C4'-P energy: -150.305 bonds (distance) P-C4' energy: -154.058 flat angles C4'-P-C4' energy: -174.541 flat angles P-C4'-P energy: -129.877 tors. eta vs tors. theta energy: -236.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2840.751518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.751518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.751518 (E_RNA) where: Base-Base interactions energy: -2011.143 where: short stacking energy: -836.686 Base-Backbone interact. energy: 1.928 local terms energy: -831.535628 where: bonds (distance) C4'-P energy: -153.324 bonds (distance) P-C4' energy: -160.555 flat angles C4'-P-C4' energy: -181.722 flat angles P-C4'-P energy: -110.372 tors. eta vs tors. theta energy: -225.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2727.916631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.916631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.916631 (E_RNA) where: Base-Base interactions energy: -1947.393 where: short stacking energy: -815.167 Base-Backbone interact. energy: -1.299 local terms energy: -779.223898 where: bonds (distance) C4'-P energy: -128.510 bonds (distance) P-C4' energy: -154.691 flat angles C4'-P-C4' energy: -174.965 flat angles P-C4'-P energy: -111.013 tors. eta vs tors. theta energy: -210.045 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: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2634.810108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.810108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.810108 (E_RNA) where: Base-Base interactions energy: -1865.382 where: short stacking energy: -818.622 Base-Backbone interact. energy: -4.133 local terms energy: -765.295313 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -144.430 flat angles C4'-P-C4' energy: -166.114 flat angles P-C4'-P energy: -88.110 tors. eta vs tors. theta energy: -219.636 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: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2574.754843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.754843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.754843 (E_RNA) where: Base-Base interactions energy: -1829.657 where: short stacking energy: -755.764 Base-Backbone interact. energy: -1.645 local terms energy: -743.452615 where: bonds (distance) C4'-P energy: -125.465 bonds (distance) P-C4' energy: -148.362 flat angles C4'-P-C4' energy: -169.846 flat angles P-C4'-P energy: -106.296 tors. eta vs tors. theta energy: -193.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2350.536820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.536820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.536820 (E_RNA) where: Base-Base interactions energy: -1668.431 where: short stacking energy: -699.262 Base-Backbone interact. energy: 4.710 local terms energy: -686.816186 where: bonds (distance) C4'-P energy: -111.056 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -166.494 flat angles P-C4'-P energy: -89.949 tors. eta vs tors. theta energy: -182.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -2077.296218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.296218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.296218 (E_RNA) where: Base-Base interactions energy: -1473.021 where: short stacking energy: -607.467 Base-Backbone interact. energy: -2.918 local terms energy: -601.357780 where: bonds (distance) C4'-P energy: -138.519 bonds (distance) P-C4' energy: -109.523 flat angles C4'-P-C4' energy: -141.398 flat angles P-C4'-P energy: -91.789 tors. eta vs tors. theta energy: -120.129 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: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1845.406384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.406384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.406384 (E_RNA) where: Base-Base interactions energy: -1271.332 where: short stacking energy: -552.717 Base-Backbone interact. energy: 0.811 local terms energy: -574.884595 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -122.256 flat angles C4'-P-C4' energy: -128.745 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -129.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1427.401768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.401768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.401768 (E_RNA) where: Base-Base interactions energy: -900.408 where: short stacking energy: -400.504 Base-Backbone interact. energy: -3.121 local terms energy: -523.872294 where: bonds (distance) C4'-P energy: -112.581 bonds (distance) P-C4' energy: -128.627 flat angles C4'-P-C4' energy: -134.893 flat angles P-C4'-P energy: -84.460 tors. eta vs tors. theta energy: -63.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3033.653686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.653686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.653686 (E_RNA) where: Base-Base interactions energy: -2171.143 where: short stacking energy: -905.851 Base-Backbone interact. energy: -7.749 local terms energy: -854.761965 where: bonds (distance) C4'-P energy: -151.545 bonds (distance) P-C4' energy: -160.431 flat angles C4'-P-C4' energy: -190.260 flat angles P-C4'-P energy: -109.941 tors. eta vs tors. theta energy: -242.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2944.471588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.471588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.471588 (E_RNA) where: Base-Base interactions energy: -2095.175 where: short stacking energy: -883.326 Base-Backbone interact. energy: -2.878 local terms energy: -846.418956 where: bonds (distance) C4'-P energy: -167.343 bonds (distance) P-C4' energy: -144.383 flat angles C4'-P-C4' energy: -184.251 flat angles P-C4'-P energy: -116.304 tors. eta vs tors. theta energy: -234.137 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: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2823.725471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.725471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.725471 (E_RNA) where: Base-Base interactions energy: -2036.442 where: short stacking energy: -852.865 Base-Backbone interact. energy: -1.348 local terms energy: -785.934852 where: bonds (distance) C4'-P energy: -146.122 bonds (distance) P-C4' energy: -146.875 flat angles C4'-P-C4' energy: -162.554 flat angles P-C4'-P energy: -116.823 tors. eta vs tors. theta energy: -213.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2766.449309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.449309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.449309 (E_RNA) where: Base-Base interactions energy: -1976.420 where: short stacking energy: -816.951 Base-Backbone interact. energy: -5.984 local terms energy: -784.045219 where: bonds (distance) C4'-P energy: -149.784 bonds (distance) P-C4' energy: -127.170 flat angles C4'-P-C4' energy: -181.876 flat angles P-C4'-P energy: -118.745 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: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2680.041928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.041928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.041928 (E_RNA) where: Base-Base interactions energy: -1899.647 where: short stacking energy: -812.847 Base-Backbone interact. energy: -3.578 local terms energy: -776.817248 where: bonds (distance) C4'-P energy: -120.459 bonds (distance) P-C4' energy: -152.471 flat angles C4'-P-C4' energy: -167.078 flat angles P-C4'-P energy: -108.952 tors. eta vs tors. theta energy: -227.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2558.873799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.873799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.873799 (E_RNA) where: Base-Base interactions energy: -1847.425 where: short stacking energy: -738.094 Base-Backbone interact. energy: 0.080 local terms energy: -711.529157 where: bonds (distance) C4'-P energy: -117.303 bonds (distance) P-C4' energy: -134.364 flat angles C4'-P-C4' energy: -160.580 flat angles P-C4'-P energy: -98.460 tors. eta vs tors. theta energy: -200.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2352.918529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.918529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.918529 (E_RNA) where: Base-Base interactions energy: -1643.538 where: short stacking energy: -703.351 Base-Backbone interact. energy: 0.128 local terms energy: -709.508615 where: bonds (distance) C4'-P energy: -123.376 bonds (distance) P-C4' energy: -139.376 flat angles C4'-P-C4' energy: -146.320 flat angles P-C4'-P energy: -110.410 tors. eta vs tors. theta energy: -190.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -2191.370116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.370116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.370116 (E_RNA) where: Base-Base interactions energy: -1564.757 where: short stacking energy: -642.405 Base-Backbone interact. energy: -2.885 local terms energy: -623.727527 where: bonds (distance) C4'-P energy: -126.197 bonds (distance) P-C4' energy: -123.346 flat angles C4'-P-C4' energy: -139.833 flat angles P-C4'-P energy: -89.682 tors. eta vs tors. theta energy: -144.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1869.566723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.566723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.566723 (E_RNA) where: Base-Base interactions energy: -1298.621 where: short stacking energy: -559.297 Base-Backbone interact. energy: 8.593 local terms energy: -579.539031 where: bonds (distance) C4'-P energy: -120.249 bonds (distance) P-C4' energy: -109.183 flat angles C4'-P-C4' energy: -129.705 flat angles P-C4'-P energy: -90.072 tors. eta vs tors. theta energy: -130.329 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: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1449.146558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.146558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.146558 (E_RNA) where: Base-Base interactions energy: -945.819 where: short stacking energy: -427.116 Base-Backbone interact. energy: 1.484 local terms energy: -504.811304 where: bonds (distance) C4'-P energy: -129.254 bonds (distance) P-C4' energy: -113.978 flat angles C4'-P-C4' energy: -117.626 flat angles P-C4'-P energy: -75.146 tors. eta vs tors. theta energy: -68.808 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: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3031.142912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.142912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.142912 (E_RNA) where: Base-Base interactions energy: -2159.613 where: short stacking energy: -892.390 Base-Backbone interact. energy: -5.313 local terms energy: -866.217030 where: bonds (distance) C4'-P energy: -152.089 bonds (distance) P-C4' energy: -169.010 flat angles C4'-P-C4' energy: -186.987 flat angles P-C4'-P energy: -132.503 tors. eta vs tors. theta energy: -225.629 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: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2934.934808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.934808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.934808 (E_RNA) where: Base-Base interactions energy: -2095.481 where: short stacking energy: -882.580 Base-Backbone interact. energy: -4.662 local terms energy: -834.792217 where: bonds (distance) C4'-P energy: -153.048 bonds (distance) P-C4' energy: -152.371 flat angles C4'-P-C4' energy: -177.854 flat angles P-C4'-P energy: -127.357 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: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2841.328090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.328090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.328090 (E_RNA) where: Base-Base interactions energy: -2030.631 where: short stacking energy: -841.251 Base-Backbone interact. energy: -2.372 local terms energy: -808.325010 where: bonds (distance) C4'-P energy: -132.103 bonds (distance) P-C4' energy: -142.071 flat angles C4'-P-C4' energy: -183.996 flat angles P-C4'-P energy: -119.820 tors. eta vs tors. theta energy: -230.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2731.092447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.092447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.092447 (E_RNA) where: Base-Base interactions energy: -1946.405 where: short stacking energy: -808.191 Base-Backbone interact. energy: 1.837 local terms energy: -786.523991 where: bonds (distance) C4'-P energy: -152.423 bonds (distance) P-C4' energy: -147.478 flat angles C4'-P-C4' energy: -166.150 flat angles P-C4'-P energy: -106.194 tors. eta vs tors. theta energy: -214.279 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: 5, replica: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2663.853586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.853586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.853586 (E_RNA) where: Base-Base interactions energy: -1884.097 where: short stacking energy: -803.345 Base-Backbone interact. energy: -3.839 local terms energy: -775.918182 where: bonds (distance) C4'-P energy: -136.837 bonds (distance) P-C4' energy: -135.877 flat angles C4'-P-C4' energy: -168.593 flat angles P-C4'-P energy: -123.597 tors. eta vs tors. theta energy: -211.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2562.230738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.230738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.230738 (E_RNA) where: Base-Base interactions energy: -1813.006 where: short stacking energy: -764.119 Base-Backbone interact. energy: -2.945 local terms energy: -746.278940 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -139.713 flat angles C4'-P-C4' energy: -164.257 flat angles P-C4'-P energy: -103.246 tors. eta vs tors. theta energy: -202.761 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: 328 Temperature: 1.200000 Total energy: -2340.492970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.492970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.492970 (E_RNA) where: Base-Base interactions energy: -1621.730 where: short stacking energy: -703.098 Base-Backbone interact. energy: -0.448 local terms energy: -718.315375 where: bonds (distance) C4'-P energy: -146.374 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -166.396 flat angles P-C4'-P energy: -89.156 tors. eta vs tors. theta energy: -174.102 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: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -2231.908051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.908051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.908051 (E_RNA) where: Base-Base interactions energy: -1545.013 where: short stacking energy: -652.318 Base-Backbone interact. energy: 0.191 local terms energy: -687.085309 where: bonds (distance) C4'-P energy: -141.050 bonds (distance) P-C4' energy: -151.725 flat angles C4'-P-C4' energy: -147.927 flat angles P-C4'-P energy: -82.541 tors. eta vs tors. theta energy: -163.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1854.637418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.637418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.637418 (E_RNA) where: Base-Base interactions energy: -1242.299 where: short stacking energy: -548.202 Base-Backbone interact. energy: 0.407 local terms energy: -612.745704 where: bonds (distance) C4'-P energy: -134.964 bonds (distance) P-C4' energy: -145.521 flat angles C4'-P-C4' energy: -147.297 flat angles P-C4'-P energy: -68.824 tors. eta vs tors. theta energy: -116.139 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: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1496.882802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.882802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.882802 (E_RNA) where: Base-Base interactions energy: -971.689 where: short stacking energy: -442.780 Base-Backbone interact. energy: -1.094 local terms energy: -524.100666 where: bonds (distance) C4'-P energy: -138.152 bonds (distance) P-C4' energy: -135.605 flat angles C4'-P-C4' energy: -109.617 flat angles P-C4'-P energy: -71.150 tors. eta vs tors. theta energy: -69.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3008.612081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.612081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.612081 (E_RNA) where: Base-Base interactions energy: -2150.642 where: short stacking energy: -903.985 Base-Backbone interact. energy: -2.021 local terms energy: -855.949685 where: bonds (distance) C4'-P energy: -151.869 bonds (distance) P-C4' energy: -167.747 flat angles C4'-P-C4' energy: -186.451 flat angles P-C4'-P energy: -122.717 tors. eta vs tors. theta energy: -227.166 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: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2939.600580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.600580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.600580 (E_RNA) where: Base-Base interactions energy: -2088.119 where: short stacking energy: -897.198 Base-Backbone interact. energy: -2.642 local terms energy: -848.839552 where: bonds (distance) C4'-P energy: -148.190 bonds (distance) P-C4' energy: -170.097 flat angles C4'-P-C4' energy: -166.110 flat angles P-C4'-P energy: -123.214 tors. eta vs tors. theta energy: -241.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2850.186483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.186483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.186483 (E_RNA) where: Base-Base interactions energy: -2035.205 where: short stacking energy: -831.298 Base-Backbone interact. energy: -5.574 local terms energy: -809.407699 where: bonds (distance) C4'-P energy: -145.067 bonds (distance) P-C4' energy: -161.970 flat angles C4'-P-C4' energy: -174.406 flat angles P-C4'-P energy: -103.382 tors. eta vs tors. theta energy: -224.583 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: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2720.586113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.586113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.586113 (E_RNA) where: Base-Base interactions energy: -1948.317 where: short stacking energy: -821.724 Base-Backbone interact. energy: -5.103 local terms energy: -767.166199 where: bonds (distance) C4'-P energy: -133.088 bonds (distance) P-C4' energy: -148.405 flat angles C4'-P-C4' energy: -170.529 flat angles P-C4'-P energy: -112.121 tors. eta vs tors. theta energy: -203.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2646.697251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.697251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.697251 (E_RNA) where: Base-Base interactions energy: -1872.240 where: short stacking energy: -783.329 Base-Backbone interact. energy: -1.204 local terms energy: -773.253717 where: bonds (distance) C4'-P energy: -123.506 bonds (distance) P-C4' energy: -147.817 flat angles C4'-P-C4' energy: -163.454 flat angles P-C4'-P energy: -116.988 tors. eta vs tors. theta energy: -221.490 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: 6, replica: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2533.649195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.649195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.649195 (E_RNA) where: Base-Base interactions energy: -1800.540 where: short stacking energy: -733.699 Base-Backbone interact. energy: -0.571 local terms energy: -732.538387 where: bonds (distance) C4'-P energy: -130.698 bonds (distance) P-C4' energy: -148.527 flat angles C4'-P-C4' energy: -162.153 flat angles P-C4'-P energy: -105.171 tors. eta vs tors. theta energy: -185.991 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: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2390.225357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.225357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.225357 (E_RNA) where: Base-Base interactions energy: -1673.316 where: short stacking energy: -689.901 Base-Backbone interact. energy: -1.406 local terms energy: -715.504269 where: bonds (distance) C4'-P energy: -131.002 bonds (distance) P-C4' energy: -163.576 flat angles C4'-P-C4' energy: -147.077 flat angles P-C4'-P energy: -101.960 tors. eta vs tors. theta energy: -171.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -2109.053468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.053468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.053468 (E_RNA) where: Base-Base interactions energy: -1460.834 where: short stacking energy: -617.920 Base-Backbone interact. energy: -0.298 local terms energy: -647.920807 where: bonds (distance) C4'-P energy: -133.559 bonds (distance) P-C4' energy: -136.216 flat angles C4'-P-C4' energy: -136.089 flat angles P-C4'-P energy: -91.737 tors. eta vs tors. theta energy: -150.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1869.397959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.397959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.397959 (E_RNA) where: Base-Base interactions energy: -1281.106 where: short stacking energy: -572.509 Base-Backbone interact. energy: 0.400 local terms energy: -588.691765 where: bonds (distance) C4'-P energy: -117.611 bonds (distance) P-C4' energy: -126.931 flat angles C4'-P-C4' energy: -132.786 flat angles P-C4'-P energy: -79.311 tors. eta vs tors. theta energy: -132.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1517.498886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.498886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.498886 (E_RNA) where: Base-Base interactions energy: -997.404 where: short stacking energy: -465.586 Base-Backbone interact. energy: 8.950 local terms energy: -529.045166 where: bonds (distance) C4'-P energy: -111.643 bonds (distance) P-C4' energy: -132.034 flat angles C4'-P-C4' energy: -130.636 flat angles P-C4'-P energy: -74.383 tors. eta vs tors. theta energy: -80.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3044.193047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.193047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.193047 (E_RNA) where: Base-Base interactions energy: -2195.367 where: short stacking energy: -878.318 Base-Backbone interact. energy: -1.060 local terms energy: -847.766528 where: bonds (distance) C4'-P energy: -165.779 bonds (distance) P-C4' energy: -156.581 flat angles C4'-P-C4' energy: -191.185 flat angles P-C4'-P energy: -113.072 tors. eta vs tors. theta energy: -221.149 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: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2933.222835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.222835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.222835 (E_RNA) where: Base-Base interactions energy: -2092.895 where: short stacking energy: -878.181 Base-Backbone interact. energy: -4.476 local terms energy: -835.851977 where: bonds (distance) C4'-P energy: -159.806 bonds (distance) P-C4' energy: -156.399 flat angles C4'-P-C4' energy: -177.092 flat angles P-C4'-P energy: -112.984 tors. eta vs tors. theta energy: -229.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2829.160142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.160142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.160142 (E_RNA) where: Base-Base interactions energy: -2035.932 where: short stacking energy: -832.632 Base-Backbone interact. energy: -4.721 local terms energy: -788.507538 where: bonds (distance) C4'-P energy: -132.745 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -165.047 flat angles P-C4'-P energy: -125.745 tors. eta vs tors. theta energy: -218.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2747.560255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.560255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.560255 (E_RNA) where: Base-Base interactions energy: -1979.067 where: short stacking energy: -831.068 Base-Backbone interact. energy: -1.811 local terms energy: -766.681691 where: bonds (distance) C4'-P energy: -135.288 bonds (distance) P-C4' energy: -125.599 flat angles C4'-P-C4' energy: -171.098 flat angles P-C4'-P energy: -126.190 tors. eta vs tors. theta energy: -208.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2648.719266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.719266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.719266 (E_RNA) where: Base-Base interactions energy: -1884.897 where: short stacking energy: -803.622 Base-Backbone interact. energy: 0.351 local terms energy: -764.173260 where: bonds (distance) C4'-P energy: -124.672 bonds (distance) P-C4' energy: -128.977 flat angles C4'-P-C4' energy: -172.341 flat angles P-C4'-P energy: -108.860 tors. eta vs tors. theta energy: -229.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2507.837729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.837729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.837729 (E_RNA) where: Base-Base interactions energy: -1796.151 where: short stacking energy: -758.470 Base-Backbone interact. energy: -1.972 local terms energy: -709.714529 where: bonds (distance) C4'-P energy: -119.688 bonds (distance) P-C4' energy: -154.881 flat angles C4'-P-C4' energy: -157.714 flat angles P-C4'-P energy: -86.248 tors. eta vs tors. theta energy: -191.184 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: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2350.399549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.399549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.399549 (E_RNA) where: Base-Base interactions energy: -1668.399 where: short stacking energy: -686.048 Base-Backbone interact. energy: -4.837 local terms energy: -677.164060 where: bonds (distance) C4'-P energy: -141.963 bonds (distance) P-C4' energy: -131.138 flat angles C4'-P-C4' energy: -148.265 flat angles P-C4'-P energy: -88.732 tors. eta vs tors. theta energy: -167.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -2142.621968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.621968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.621968 (E_RNA) where: Base-Base interactions energy: -1527.155 where: short stacking energy: -647.924 Base-Backbone interact. energy: 0.181 local terms energy: -615.648129 where: bonds (distance) C4'-P energy: -116.613 bonds (distance) P-C4' energy: -124.123 flat angles C4'-P-C4' energy: -138.266 flat angles P-C4'-P energy: -88.045 tors. eta vs tors. theta energy: -148.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1853.462474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.462474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.462474 (E_RNA) where: Base-Base interactions energy: -1221.199 where: short stacking energy: -582.542 Base-Backbone interact. energy: -1.132 local terms energy: -631.131181 where: bonds (distance) C4'-P energy: -112.121 bonds (distance) P-C4' energy: -149.579 flat angles C4'-P-C4' energy: -140.480 flat angles P-C4'-P energy: -99.397 tors. eta vs tors. theta energy: -129.554 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: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1523.308734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.308734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.308734 (E_RNA) where: Base-Base interactions energy: -996.997 where: short stacking energy: -446.220 Base-Backbone interact. energy: -3.263 local terms energy: -523.048948 where: bonds (distance) C4'-P energy: -130.928 bonds (distance) P-C4' energy: -108.587 flat angles C4'-P-C4' energy: -128.279 flat angles P-C4'-P energy: -69.434 tors. eta vs tors. theta energy: -85.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3016.209888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.209888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.209888 (E_RNA) where: Base-Base interactions energy: -2164.265 where: short stacking energy: -890.646 Base-Backbone interact. energy: -6.170 local terms energy: -845.775755 where: bonds (distance) C4'-P energy: -152.985 bonds (distance) P-C4' energy: -160.262 flat angles C4'-P-C4' energy: -180.920 flat angles P-C4'-P energy: -121.766 tors. eta vs tors. theta energy: -229.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2935.980172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.980172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.980172 (E_RNA) where: Base-Base interactions energy: -2116.978 where: short stacking energy: -881.294 Base-Backbone interact. energy: -3.128 local terms energy: -815.874578 where: bonds (distance) C4'-P energy: -147.543 bonds (distance) P-C4' energy: -167.485 flat angles C4'-P-C4' energy: -163.729 flat angles P-C4'-P energy: -105.046 tors. eta vs tors. theta energy: -232.072 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: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2855.547612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.547612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.547612 (E_RNA) where: Base-Base interactions energy: -2030.113 where: short stacking energy: -849.831 Base-Backbone interact. energy: 0.875 local terms energy: -826.309513 where: bonds (distance) C4'-P energy: -152.037 bonds (distance) P-C4' energy: -155.095 flat angles C4'-P-C4' energy: -176.763 flat angles P-C4'-P energy: -102.393 tors. eta vs tors. theta energy: -240.022 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: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2731.146605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.146605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.146605 (E_RNA) where: Base-Base interactions energy: -1949.505 where: short stacking energy: -811.913 Base-Backbone interact. energy: -2.979 local terms energy: -778.662604 where: bonds (distance) C4'-P energy: -147.121 bonds (distance) P-C4' energy: -140.680 flat angles C4'-P-C4' energy: -172.706 flat angles P-C4'-P energy: -105.906 tors. eta vs tors. theta energy: -212.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2650.004055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.004055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.004055 (E_RNA) where: Base-Base interactions energy: -1867.957 where: short stacking energy: -837.908 Base-Backbone interact. energy: 0.300 local terms energy: -782.347541 where: bonds (distance) C4'-P energy: -114.424 bonds (distance) P-C4' energy: -142.357 flat angles C4'-P-C4' energy: -173.438 flat angles P-C4'-P energy: -120.215 tors. eta vs tors. theta energy: -231.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2518.787886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.787886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.787886 (E_RNA) where: Base-Base interactions energy: -1793.392 where: short stacking energy: -745.803 Base-Backbone interact. energy: 0.743 local terms energy: -726.139369 where: bonds (distance) C4'-P energy: -129.203 bonds (distance) P-C4' energy: -146.811 flat angles C4'-P-C4' energy: -163.970 flat angles P-C4'-P energy: -99.339 tors. eta vs tors. theta energy: -186.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2330.075280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.075280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.075280 (E_RNA) where: Base-Base interactions energy: -1684.830 where: short stacking energy: -672.519 Base-Backbone interact. energy: 3.959 local terms energy: -649.204430 where: bonds (distance) C4'-P energy: -118.418 bonds (distance) P-C4' energy: -144.103 flat angles C4'-P-C4' energy: -152.235 flat angles P-C4'-P energy: -73.979 tors. eta vs tors. theta energy: -160.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -2134.324551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.324551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.324551 (E_RNA) where: Base-Base interactions energy: -1511.996 where: short stacking energy: -652.483 Base-Backbone interact. energy: -0.701 local terms energy: -621.626974 where: bonds (distance) C4'-P energy: -130.199 bonds (distance) P-C4' energy: -113.527 flat angles C4'-P-C4' energy: -138.556 flat angles P-C4'-P energy: -80.131 tors. eta vs tors. theta energy: -159.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1844.459463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.459463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.459463 (E_RNA) where: Base-Base interactions energy: -1228.361 where: short stacking energy: -551.808 Base-Backbone interact. energy: -4.646 local terms energy: -611.452738 where: bonds (distance) C4'-P energy: -112.758 bonds (distance) P-C4' energy: -137.347 flat angles C4'-P-C4' energy: -140.307 flat angles P-C4'-P energy: -92.890 tors. eta vs tors. theta energy: -128.150 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: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1540.320872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.320872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.320872 (E_RNA) where: Base-Base interactions energy: -1035.448 where: short stacking energy: -466.746 Base-Backbone interact. energy: 1.483 local terms energy: -506.355928 where: bonds (distance) C4'-P energy: -120.488 bonds (distance) P-C4' energy: -123.832 flat angles C4'-P-C4' energy: -113.320 flat angles P-C4'-P energy: -61.288 tors. eta vs tors. theta energy: -87.429 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: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3081.944731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.944731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.944731 (E_RNA) where: Base-Base interactions energy: -2199.645 where: short stacking energy: -917.838 Base-Backbone interact. energy: -6.247 local terms energy: -876.052238 where: bonds (distance) C4'-P energy: -160.031 bonds (distance) P-C4' energy: -168.398 flat angles C4'-P-C4' energy: -188.772 flat angles P-C4'-P energy: -121.054 tors. eta vs tors. theta energy: -237.798 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: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2924.977168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.977168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.977168 (E_RNA) where: Base-Base interactions energy: -2072.284 where: short stacking energy: -873.349 Base-Backbone interact. energy: -3.625 local terms energy: -849.068379 where: bonds (distance) C4'-P energy: -155.806 bonds (distance) P-C4' energy: -164.204 flat angles C4'-P-C4' energy: -175.860 flat angles P-C4'-P energy: -125.528 tors. eta vs tors. theta energy: -227.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2852.135096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.135096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.135096 (E_RNA) where: Base-Base interactions energy: -2017.261 where: short stacking energy: -833.956 Base-Backbone interact. energy: -3.723 local terms energy: -831.150392 where: bonds (distance) C4'-P energy: -144.406 bonds (distance) P-C4' energy: -151.386 flat angles C4'-P-C4' energy: -177.371 flat angles P-C4'-P energy: -122.131 tors. eta vs tors. theta energy: -235.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2736.063976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.063976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.063976 (E_RNA) where: Base-Base interactions energy: -1956.326 where: short stacking energy: -812.493 Base-Backbone interact. energy: -1.621 local terms energy: -778.117719 where: bonds (distance) C4'-P energy: -149.890 bonds (distance) P-C4' energy: -144.897 flat angles C4'-P-C4' energy: -180.010 flat angles P-C4'-P energy: -99.484 tors. eta vs tors. theta energy: -203.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2556.334160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.334160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.334160 (E_RNA) where: Base-Base interactions energy: -1791.093 where: short stacking energy: -741.317 Base-Backbone interact. energy: -4.852 local terms energy: -760.389018 where: bonds (distance) C4'-P energy: -151.169 bonds (distance) P-C4' energy: -161.385 flat angles C4'-P-C4' energy: -158.608 flat angles P-C4'-P energy: -109.757 tors. eta vs tors. theta energy: -179.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2538.058515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.058515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.058515 (E_RNA) where: Base-Base interactions energy: -1805.604 where: short stacking energy: -776.351 Base-Backbone interact. energy: -1.907 local terms energy: -730.546991 where: bonds (distance) C4'-P energy: -137.377 bonds (distance) P-C4' energy: -141.321 flat angles C4'-P-C4' energy: -157.419 flat angles P-C4'-P energy: -81.075 tors. eta vs tors. theta energy: -213.356 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: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2325.523020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.523020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.523020 (E_RNA) where: Base-Base interactions energy: -1669.171 where: short stacking energy: -666.700 Base-Backbone interact. energy: -4.689 local terms energy: -651.663117 where: bonds (distance) C4'-P energy: -131.103 bonds (distance) P-C4' energy: -130.959 flat angles C4'-P-C4' energy: -140.547 flat angles P-C4'-P energy: -103.284 tors. eta vs tors. theta energy: -145.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -2133.668970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.668970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.668970 (E_RNA) where: Base-Base interactions energy: -1502.199 where: short stacking energy: -636.924 Base-Backbone interact. energy: -3.217 local terms energy: -628.253321 where: bonds (distance) C4'-P energy: -115.854 bonds (distance) P-C4' energy: -128.593 flat angles C4'-P-C4' energy: -160.641 flat angles P-C4'-P energy: -85.445 tors. eta vs tors. theta energy: -137.720 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: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1889.371326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.371326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.371326 (E_RNA) where: Base-Base interactions energy: -1286.451 where: short stacking energy: -562.832 Base-Backbone interact. energy: -4.726 local terms energy: -598.194067 where: bonds (distance) C4'-P energy: -127.890 bonds (distance) P-C4' energy: -116.706 flat angles C4'-P-C4' energy: -149.895 flat angles P-C4'-P energy: -87.266 tors. eta vs tors. theta energy: -116.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1570.670125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.670125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.670125 (E_RNA) where: Base-Base interactions energy: -1029.464 where: short stacking energy: -476.816 Base-Backbone interact. energy: -0.077 local terms energy: -541.129292 where: bonds (distance) C4'-P energy: -123.899 bonds (distance) P-C4' energy: -133.403 flat angles C4'-P-C4' energy: -124.000 flat angles P-C4'-P energy: -89.469 tors. eta vs tors. theta energy: -70.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3045.788499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.788499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.788499 (E_RNA) where: Base-Base interactions energy: -2180.169 where: short stacking energy: -912.034 Base-Backbone interact. energy: -3.734 local terms energy: -861.884811 where: bonds (distance) C4'-P energy: -153.828 bonds (distance) P-C4' energy: -161.850 flat angles C4'-P-C4' energy: -187.697 flat angles P-C4'-P energy: -118.968 tors. eta vs tors. theta energy: -239.542 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: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2949.073806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.073806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.073806 (E_RNA) where: Base-Base interactions energy: -2097.361 where: short stacking energy: -900.840 Base-Backbone interact. energy: -1.843 local terms energy: -849.869893 where: bonds (distance) C4'-P energy: -139.871 bonds (distance) P-C4' energy: -155.800 flat angles C4'-P-C4' energy: -191.281 flat angles P-C4'-P energy: -127.872 tors. eta vs tors. theta energy: -235.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2854.200592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.200592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.200592 (E_RNA) where: Base-Base interactions energy: -2029.564 where: short stacking energy: -869.954 Base-Backbone interact. energy: 0.297 local terms energy: -824.933597 where: bonds (distance) C4'-P energy: -144.771 bonds (distance) P-C4' energy: -142.960 flat angles C4'-P-C4' energy: -183.029 flat angles P-C4'-P energy: -116.842 tors. eta vs tors. theta energy: -237.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2746.420233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.420233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.420233 (E_RNA) where: Base-Base interactions energy: -1935.942 where: short stacking energy: -820.300 Base-Backbone interact. energy: 1.835 local terms energy: -812.313898 where: bonds (distance) C4'-P energy: -139.596 bonds (distance) P-C4' energy: -134.363 flat angles C4'-P-C4' energy: -187.538 flat angles P-C4'-P energy: -132.484 tors. eta vs tors. theta energy: -218.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2590.541061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.541061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.541061 (E_RNA) where: Base-Base interactions energy: -1837.014 where: short stacking energy: -753.187 Base-Backbone interact. energy: -3.887 local terms energy: -749.640239 where: bonds (distance) C4'-P energy: -127.954 bonds (distance) P-C4' energy: -155.338 flat angles C4'-P-C4' energy: -166.189 flat angles P-C4'-P energy: -110.576 tors. eta vs tors. theta energy: -189.583 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: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2566.011719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.011719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.011719 (E_RNA) where: Base-Base interactions energy: -1797.849 where: short stacking energy: -794.608 Base-Backbone interact. energy: -4.531 local terms energy: -763.631511 where: bonds (distance) C4'-P energy: -114.832 bonds (distance) P-C4' energy: -133.860 flat angles C4'-P-C4' energy: -174.935 flat angles P-C4'-P energy: -113.919 tors. eta vs tors. theta energy: -226.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2318.095030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.095030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.095030 (E_RNA) where: Base-Base interactions energy: -1651.512 where: short stacking energy: -713.160 Base-Backbone interact. energy: -3.663 local terms energy: -662.920344 where: bonds (distance) C4'-P energy: -114.120 bonds (distance) P-C4' energy: -136.418 flat angles C4'-P-C4' energy: -142.322 flat angles P-C4'-P energy: -98.897 tors. eta vs tors. theta energy: -171.164 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: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -2117.604664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.604664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.604664 (E_RNA) where: Base-Base interactions energy: -1496.790 where: short stacking energy: -631.262 Base-Backbone interact. energy: 2.992 local terms energy: -623.806150 where: bonds (distance) C4'-P energy: -96.687 bonds (distance) P-C4' energy: -157.302 flat angles C4'-P-C4' energy: -141.134 flat angles P-C4'-P energy: -92.548 tors. eta vs tors. theta energy: -136.136 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: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1882.466591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.466591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.466591 (E_RNA) where: Base-Base interactions energy: -1291.882 where: short stacking energy: -582.288 Base-Backbone interact. energy: 5.288 local terms energy: -595.872868 where: bonds (distance) C4'-P energy: -137.800 bonds (distance) P-C4' energy: -127.540 flat angles C4'-P-C4' energy: -133.859 flat angles P-C4'-P energy: -78.228 tors. eta vs tors. theta energy: -118.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1587.857227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.857227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.857227 (E_RNA) where: Base-Base interactions energy: -1052.704 where: short stacking energy: -473.391 Base-Backbone interact. energy: -2.296 local terms energy: -532.856957 where: bonds (distance) C4'-P energy: -112.452 bonds (distance) P-C4' energy: -129.684 flat angles C4'-P-C4' energy: -148.257 flat angles P-C4'-P energy: -62.413 tors. eta vs tors. theta energy: -80.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3065.647376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.647376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.647376 (E_RNA) where: Base-Base interactions energy: -2218.159 where: short stacking energy: -905.173 Base-Backbone interact. energy: -1.144 local terms energy: -846.344074 where: bonds (distance) C4'-P energy: -152.599 bonds (distance) P-C4' energy: -171.698 flat angles C4'-P-C4' energy: -177.866 flat angles P-C4'-P energy: -120.134 tors. eta vs tors. theta energy: -224.047 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: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2927.147904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.147904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.147904 (E_RNA) where: Base-Base interactions energy: -2098.195 where: short stacking energy: -876.016 Base-Backbone interact. energy: -6.316 local terms energy: -822.637129 where: bonds (distance) C4'-P energy: -138.091 bonds (distance) P-C4' energy: -161.148 flat angles C4'-P-C4' energy: -178.481 flat angles P-C4'-P energy: -111.915 tors. eta vs tors. theta energy: -233.002 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: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2834.520159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.520159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.520159 (E_RNA) where: Base-Base interactions energy: -2023.682 where: short stacking energy: -854.574 Base-Backbone interact. energy: -5.825 local terms energy: -805.013210 where: bonds (distance) C4'-P energy: -148.282 bonds (distance) P-C4' energy: -161.457 flat angles C4'-P-C4' energy: -157.760 flat angles P-C4'-P energy: -105.840 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: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2742.177835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.177835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.177835 (E_RNA) where: Base-Base interactions energy: -1966.076 where: short stacking energy: -814.110 Base-Backbone interact. energy: -3.900 local terms energy: -772.201453 where: bonds (distance) C4'-P energy: -141.992 bonds (distance) P-C4' energy: -142.294 flat angles C4'-P-C4' energy: -169.907 flat angles P-C4'-P energy: -109.639 tors. eta vs tors. theta energy: -208.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2599.498704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.498704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.498704 (E_RNA) where: Base-Base interactions energy: -1839.453 where: short stacking energy: -757.754 Base-Backbone interact. energy: -2.127 local terms energy: -757.918306 where: bonds (distance) C4'-P energy: -131.819 bonds (distance) P-C4' energy: -159.366 flat angles C4'-P-C4' energy: -159.728 flat angles P-C4'-P energy: -104.858 tors. eta vs tors. theta energy: -202.146 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: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2578.008717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.008717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.008717 (E_RNA) where: Base-Base interactions energy: -1824.062 where: short stacking energy: -784.867 Base-Backbone interact. energy: -1.135 local terms energy: -752.811691 where: bonds (distance) C4'-P energy: -137.493 bonds (distance) P-C4' energy: -127.666 flat angles C4'-P-C4' energy: -162.189 flat angles P-C4'-P energy: -106.966 tors. eta vs tors. theta energy: -218.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2371.507439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.507439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.507439 (E_RNA) where: Base-Base interactions energy: -1700.668 where: short stacking energy: -729.283 Base-Backbone interact. energy: -3.150 local terms energy: -667.688960 where: bonds (distance) C4'-P energy: -110.531 bonds (distance) P-C4' energy: -131.885 flat angles C4'-P-C4' energy: -158.701 flat angles P-C4'-P energy: -76.402 tors. eta vs tors. theta energy: -190.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -2139.723286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.723286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.723286 (E_RNA) where: Base-Base interactions energy: -1476.027 where: short stacking energy: -647.146 Base-Backbone interact. energy: -0.928 local terms energy: -662.768592 where: bonds (distance) C4'-P energy: -134.383 bonds (distance) P-C4' energy: -120.703 flat angles C4'-P-C4' energy: -165.881 flat angles P-C4'-P energy: -93.841 tors. eta vs tors. theta energy: -147.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1884.492525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.492525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.492525 (E_RNA) where: Base-Base interactions energy: -1234.220 where: short stacking energy: -547.068 Base-Backbone interact. energy: -1.726 local terms energy: -648.546745 where: bonds (distance) C4'-P energy: -140.860 bonds (distance) P-C4' energy: -134.109 flat angles C4'-P-C4' energy: -159.755 flat angles P-C4'-P energy: -90.845 tors. eta vs tors. theta energy: -122.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1592.093294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.093294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.093294 (E_RNA) where: Base-Base interactions energy: -1058.194 where: short stacking energy: -483.927 Base-Backbone interact. energy: 2.679 local terms energy: -536.578358 where: bonds (distance) C4'-P energy: -119.354 bonds (distance) P-C4' energy: -129.337 flat angles C4'-P-C4' energy: -115.890 flat angles P-C4'-P energy: -69.529 tors. eta vs tors. theta energy: -102.468 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: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3043.784988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.784988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.784988 (E_RNA) where: Base-Base interactions energy: -2186.947 where: short stacking energy: -889.200 Base-Backbone interact. energy: -5.368 local terms energy: -851.469425 where: bonds (distance) C4'-P energy: -158.622 bonds (distance) P-C4' energy: -162.070 flat angles C4'-P-C4' energy: -183.411 flat angles P-C4'-P energy: -126.775 tors. eta vs tors. theta energy: -220.592 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: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2901.596010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.596010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.596010 (E_RNA) where: Base-Base interactions energy: -2076.896 where: short stacking energy: -859.129 Base-Backbone interact. energy: -0.011 local terms energy: -824.689683 where: bonds (distance) C4'-P energy: -143.255 bonds (distance) P-C4' energy: -162.784 flat angles C4'-P-C4' energy: -176.792 flat angles P-C4'-P energy: -113.978 tors. eta vs tors. theta energy: -227.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2869.418162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.418162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.418162 (E_RNA) where: Base-Base interactions energy: -2048.955 where: short stacking energy: -854.110 Base-Backbone interact. energy: -0.251 local terms energy: -820.211251 where: bonds (distance) C4'-P energy: -147.250 bonds (distance) P-C4' energy: -151.064 flat angles C4'-P-C4' energy: -168.443 flat angles P-C4'-P energy: -124.409 tors. eta vs tors. theta energy: -229.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2731.210293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.210293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.210293 (E_RNA) where: Base-Base interactions energy: -1947.204 where: short stacking energy: -831.230 Base-Backbone interact. energy: -3.528 local terms energy: -780.477380 where: bonds (distance) C4'-P energy: -136.427 bonds (distance) P-C4' energy: -147.507 flat angles C4'-P-C4' energy: -162.178 flat angles P-C4'-P energy: -119.672 tors. eta vs tors. theta energy: -214.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2599.279290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.279290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.279290 (E_RNA) where: Base-Base interactions energy: -1838.305 where: short stacking energy: -762.556 Base-Backbone interact. energy: 5.557 local terms energy: -766.530645 where: bonds (distance) C4'-P energy: -146.318 bonds (distance) P-C4' energy: -141.647 flat angles C4'-P-C4' energy: -155.699 flat angles P-C4'-P energy: -113.865 tors. eta vs tors. theta energy: -209.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2542.150664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.150664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.150664 (E_RNA) where: Base-Base interactions energy: -1777.194 where: short stacking energy: -785.764 Base-Backbone interact. energy: -2.772 local terms energy: -762.183796 where: bonds (distance) C4'-P energy: -135.656 bonds (distance) P-C4' energy: -161.855 flat angles C4'-P-C4' energy: -168.212 flat angles P-C4'-P energy: -89.814 tors. eta vs tors. theta energy: -206.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2320.860916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.860916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.860916 (E_RNA) where: Base-Base interactions energy: -1691.310 where: short stacking energy: -672.576 Base-Backbone interact. energy: 0.148 local terms energy: -629.698939 where: bonds (distance) C4'-P energy: -117.032 bonds (distance) P-C4' energy: -106.675 flat angles C4'-P-C4' energy: -142.904 flat angles P-C4'-P energy: -96.151 tors. eta vs tors. theta energy: -166.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -2114.503347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.503347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.503347 (E_RNA) where: Base-Base interactions energy: -1469.716 where: short stacking energy: -627.032 Base-Backbone interact. energy: 9.056 local terms energy: -653.843345 where: bonds (distance) C4'-P energy: -118.883 bonds (distance) P-C4' energy: -146.246 flat angles C4'-P-C4' energy: -140.596 flat angles P-C4'-P energy: -99.669 tors. eta vs tors. theta energy: -148.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1894.363472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.363472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.363472 (E_RNA) where: Base-Base interactions energy: -1296.486 where: short stacking energy: -572.888 Base-Backbone interact. energy: -0.777 local terms energy: -597.100188 where: bonds (distance) C4'-P energy: -133.036 bonds (distance) P-C4' energy: -123.653 flat angles C4'-P-C4' energy: -124.526 flat angles P-C4'-P energy: -82.945 tors. eta vs tors. theta energy: -132.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1608.977166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.977166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.977166 (E_RNA) where: Base-Base interactions energy: -1065.365 where: short stacking energy: -446.770 Base-Backbone interact. energy: -2.302 local terms energy: -541.310107 where: bonds (distance) C4'-P energy: -129.754 bonds (distance) P-C4' energy: -124.220 flat angles C4'-P-C4' energy: -120.629 flat angles P-C4'-P energy: -86.089 tors. eta vs tors. theta energy: -80.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3024.561905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.561905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.561905 (E_RNA) where: Base-Base interactions energy: -2177.242 where: short stacking energy: -905.408 Base-Backbone interact. energy: -3.925 local terms energy: -843.394767 where: bonds (distance) C4'-P energy: -130.821 bonds (distance) P-C4' energy: -164.518 flat angles C4'-P-C4' energy: -186.484 flat angles P-C4'-P energy: -130.301 tors. eta vs tors. theta energy: -231.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2918.034492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.034492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.034492 (E_RNA) where: Base-Base interactions energy: -2111.940 where: short stacking energy: -860.620 Base-Backbone interact. energy: -3.961 local terms energy: -802.133420 where: bonds (distance) C4'-P energy: -142.923 bonds (distance) P-C4' energy: -144.806 flat angles C4'-P-C4' energy: -173.886 flat angles P-C4'-P energy: -118.104 tors. eta vs tors. theta energy: -222.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2848.187355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.187355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.187355 (E_RNA) where: Base-Base interactions energy: -2025.186 where: short stacking energy: -838.182 Base-Backbone interact. energy: -4.274 local terms energy: -818.727381 where: bonds (distance) C4'-P energy: -153.443 bonds (distance) P-C4' energy: -146.841 flat angles C4'-P-C4' energy: -182.704 flat angles P-C4'-P energy: -115.224 tors. eta vs tors. theta energy: -220.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2759.424719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.424719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.424719 (E_RNA) where: Base-Base interactions energy: -1988.408 where: short stacking energy: -817.376 Base-Backbone interact. energy: -4.855 local terms energy: -766.161054 where: bonds (distance) C4'-P energy: -130.271 bonds (distance) P-C4' energy: -146.593 flat angles C4'-P-C4' energy: -173.069 flat angles P-C4'-P energy: -102.318 tors. eta vs tors. theta energy: -213.910 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: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2625.757028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.757028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.757028 (E_RNA) where: Base-Base interactions energy: -1882.139 where: short stacking energy: -771.897 Base-Backbone interact. energy: -6.197 local terms energy: -737.421225 where: bonds (distance) C4'-P energy: -130.770 bonds (distance) P-C4' energy: -150.756 flat angles C4'-P-C4' energy: -151.448 flat angles P-C4'-P energy: -96.349 tors. eta vs tors. theta energy: -208.097 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: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2554.539930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.539930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.539930 (E_RNA) where: Base-Base interactions energy: -1809.126 where: short stacking energy: -768.250 Base-Backbone interact. energy: -1.758 local terms energy: -743.655175 where: bonds (distance) C4'-P energy: -138.774 bonds (distance) P-C4' energy: -135.369 flat angles C4'-P-C4' energy: -164.816 flat angles P-C4'-P energy: -97.693 tors. eta vs tors. theta energy: -207.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2355.538158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.538158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.538158 (E_RNA) where: Base-Base interactions energy: -1668.771 where: short stacking energy: -689.962 Base-Backbone interact. energy: -7.006 local terms energy: -679.761202 where: bonds (distance) C4'-P energy: -116.616 bonds (distance) P-C4' energy: -139.070 flat angles C4'-P-C4' energy: -147.806 flat angles P-C4'-P energy: -96.628 tors. eta vs tors. theta energy: -179.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -2133.982636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.982636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.982636 (E_RNA) where: Base-Base interactions energy: -1478.915 where: short stacking energy: -636.449 Base-Backbone interact. energy: -0.269 local terms energy: -654.798868 where: bonds (distance) C4'-P energy: -128.438 bonds (distance) P-C4' energy: -147.422 flat angles C4'-P-C4' energy: -140.280 flat angles P-C4'-P energy: -94.796 tors. eta vs tors. theta energy: -143.862 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: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1874.976103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.976103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.976103 (E_RNA) where: Base-Base interactions energy: -1280.319 where: short stacking energy: -577.323 Base-Backbone interact. energy: -2.447 local terms energy: -592.210052 where: bonds (distance) C4'-P energy: -114.479 bonds (distance) P-C4' energy: -133.180 flat angles C4'-P-C4' energy: -134.708 flat angles P-C4'-P energy: -69.470 tors. eta vs tors. theta energy: -140.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1667.421219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.421219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.421219 (E_RNA) where: Base-Base interactions energy: -1134.115 where: short stacking energy: -497.922 Base-Backbone interact. energy: 3.069 local terms energy: -536.375618 where: bonds (distance) C4'-P energy: -110.917 bonds (distance) P-C4' energy: -112.162 flat angles C4'-P-C4' energy: -145.123 flat angles P-C4'-P energy: -80.576 tors. eta vs tors. theta energy: -87.597 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: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3042.449671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.449671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.449671 (E_RNA) where: Base-Base interactions energy: -2171.548 where: short stacking energy: -903.652 Base-Backbone interact. energy: 0.938 local terms energy: -871.839236 where: bonds (distance) C4'-P energy: -140.427 bonds (distance) P-C4' energy: -161.029 flat angles C4'-P-C4' energy: -196.756 flat angles P-C4'-P energy: -138.111 tors. eta vs tors. theta energy: -235.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2912.994057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.994057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.994057 (E_RNA) where: Base-Base interactions energy: -2071.817 where: short stacking energy: -864.013 Base-Backbone interact. energy: -0.682 local terms energy: -840.495431 where: bonds (distance) C4'-P energy: -146.088 bonds (distance) P-C4' energy: -156.675 flat angles C4'-P-C4' energy: -179.639 flat angles P-C4'-P energy: -131.651 tors. eta vs tors. theta energy: -226.443 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: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2834.881786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.881786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.881786 (E_RNA) where: Base-Base interactions energy: -2025.434 where: short stacking energy: -869.662 Base-Backbone interact. energy: -3.557 local terms energy: -805.890556 where: bonds (distance) C4'-P energy: -146.845 bonds (distance) P-C4' energy: -152.533 flat angles C4'-P-C4' energy: -171.027 flat angles P-C4'-P energy: -117.153 tors. eta vs tors. theta energy: -218.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2743.420605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.420605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.420605 (E_RNA) where: Base-Base interactions energy: -1960.150 where: short stacking energy: -826.130 Base-Backbone interact. energy: -4.963 local terms energy: -778.307835 where: bonds (distance) C4'-P energy: -149.964 bonds (distance) P-C4' energy: -137.686 flat angles C4'-P-C4' energy: -161.081 flat angles P-C4'-P energy: -119.740 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: 5, replica: 10 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2609.869780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.869780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.869780 (E_RNA) where: Base-Base interactions energy: -1825.414 where: short stacking energy: -768.690 Base-Backbone interact. energy: -6.456 local terms energy: -777.999839 where: bonds (distance) C4'-P energy: -153.076 bonds (distance) P-C4' energy: -155.200 flat angles C4'-P-C4' energy: -168.356 flat angles P-C4'-P energy: -100.387 tors. eta vs tors. theta energy: -200.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2543.174185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.174185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.174185 (E_RNA) where: Base-Base interactions energy: -1794.888 where: short stacking energy: -770.344 Base-Backbone interact. energy: 2.125 local terms energy: -750.411500 where: bonds (distance) C4'-P energy: -125.627 bonds (distance) P-C4' energy: -134.058 flat angles C4'-P-C4' energy: -180.976 flat angles P-C4'-P energy: -114.941 tors. eta vs tors. theta energy: -194.809 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: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2382.278662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.278662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.278662 (E_RNA) where: Base-Base interactions energy: -1689.666 where: short stacking energy: -735.567 Base-Backbone interact. energy: -4.079 local terms energy: -688.533448 where: bonds (distance) C4'-P energy: -118.877 bonds (distance) P-C4' energy: -132.313 flat angles C4'-P-C4' energy: -159.471 flat angles P-C4'-P energy: -87.161 tors. eta vs tors. theta energy: -190.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -2117.384829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.384829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.384829 (E_RNA) where: Base-Base interactions energy: -1511.057 where: short stacking energy: -666.825 Base-Backbone interact. energy: 2.709 local terms energy: -609.036397 where: bonds (distance) C4'-P energy: -101.022 bonds (distance) P-C4' energy: -150.004 flat angles C4'-P-C4' energy: -140.314 flat angles P-C4'-P energy: -75.650 tors. eta vs tors. theta energy: -142.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1954.933876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.933876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.933876 (E_RNA) where: Base-Base interactions energy: -1323.312 where: short stacking energy: -581.608 Base-Backbone interact. energy: -2.253 local terms energy: -629.368522 where: bonds (distance) C4'-P energy: -106.547 bonds (distance) P-C4' energy: -119.256 flat angles C4'-P-C4' energy: -151.736 flat angles P-C4'-P energy: -88.173 tors. eta vs tors. theta energy: -163.657 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: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1686.401113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.401113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.401113 (E_RNA) where: Base-Base interactions energy: -1111.195 where: short stacking energy: -507.446 Base-Backbone interact. energy: 2.712 local terms energy: -577.917232 where: bonds (distance) C4'-P energy: -128.632 bonds (distance) P-C4' energy: -121.270 flat angles C4'-P-C4' energy: -128.792 flat angles P-C4'-P energy: -82.688 tors. eta vs tors. theta energy: -116.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3033.561727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.561727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.561727 (E_RNA) where: Base-Base interactions energy: -2176.560 where: short stacking energy: -906.757 Base-Backbone interact. energy: -4.249 local terms energy: -852.751982 where: bonds (distance) C4'-P energy: -159.314 bonds (distance) P-C4' energy: -155.414 flat angles C4'-P-C4' energy: -168.757 flat angles P-C4'-P energy: -131.741 tors. eta vs tors. theta energy: -237.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2941.752257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.752257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.752257 (E_RNA) where: Base-Base interactions energy: -2084.645 where: short stacking energy: -875.962 Base-Backbone interact. energy: -0.919 local terms energy: -856.187942 where: bonds (distance) C4'-P energy: -149.497 bonds (distance) P-C4' energy: -185.397 flat angles C4'-P-C4' energy: -180.911 flat angles P-C4'-P energy: -116.364 tors. eta vs tors. theta energy: -224.018 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: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2830.298439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.298439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.298439 (E_RNA) where: Base-Base interactions energy: -2018.879 where: short stacking energy: -852.074 Base-Backbone interact. energy: -5.861 local terms energy: -805.559123 where: bonds (distance) C4'-P energy: -148.669 bonds (distance) P-C4' energy: -147.205 flat angles C4'-P-C4' energy: -183.017 flat angles P-C4'-P energy: -115.593 tors. eta vs tors. theta energy: -211.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2749.044540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.044540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.044540 (E_RNA) where: Base-Base interactions energy: -1952.738 where: short stacking energy: -797.590 Base-Backbone interact. energy: -5.155 local terms energy: -791.151913 where: bonds (distance) C4'-P energy: -144.904 bonds (distance) P-C4' energy: -150.055 flat angles C4'-P-C4' energy: -160.379 flat angles P-C4'-P energy: -121.656 tors. eta vs tors. theta energy: -214.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2657.708311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.708311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.708311 (E_RNA) where: Base-Base interactions energy: -1878.191 where: short stacking energy: -797.875 Base-Backbone interact. energy: -5.127 local terms energy: -774.389994 where: bonds (distance) C4'-P energy: -146.113 bonds (distance) P-C4' energy: -142.671 flat angles C4'-P-C4' energy: -162.640 flat angles P-C4'-P energy: -101.753 tors. eta vs tors. theta energy: -221.213 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: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2544.179481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.179481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.179481 (E_RNA) where: Base-Base interactions energy: -1771.169 where: short stacking energy: -762.194 Base-Backbone interact. energy: -4.543 local terms energy: -768.467425 where: bonds (distance) C4'-P energy: -139.527 bonds (distance) P-C4' energy: -156.390 flat angles C4'-P-C4' energy: -171.475 flat angles P-C4'-P energy: -112.051 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: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2390.174346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.174346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.174346 (E_RNA) where: Base-Base interactions energy: -1675.349 where: short stacking energy: -699.633 Base-Backbone interact. energy: -1.067 local terms energy: -713.758917 where: bonds (distance) C4'-P energy: -131.865 bonds (distance) P-C4' energy: -126.897 flat angles C4'-P-C4' energy: -164.631 flat angles P-C4'-P energy: -112.337 tors. eta vs tors. theta energy: -178.030 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: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -2114.703297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.703297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.703297 (E_RNA) where: Base-Base interactions energy: -1459.839 where: short stacking energy: -619.698 Base-Backbone interact. energy: -2.457 local terms energy: -652.407686 where: bonds (distance) C4'-P energy: -137.453 bonds (distance) P-C4' energy: -118.402 flat angles C4'-P-C4' energy: -154.864 flat angles P-C4'-P energy: -92.599 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: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1905.305094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.305094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.305094 (E_RNA) where: Base-Base interactions energy: -1301.584 where: short stacking energy: -585.277 Base-Backbone interact. energy: 1.343 local terms energy: -605.064381 where: bonds (distance) C4'-P energy: -129.483 bonds (distance) P-C4' energy: -123.341 flat angles C4'-P-C4' energy: -141.089 flat angles P-C4'-P energy: -83.802 tors. eta vs tors. theta energy: -127.350 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: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1667.879794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.879794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.879794 (E_RNA) where: Base-Base interactions energy: -1072.601 where: short stacking energy: -489.776 Base-Backbone interact. energy: 7.446 local terms energy: -602.724964 where: bonds (distance) C4'-P energy: -132.001 bonds (distance) P-C4' energy: -141.754 flat angles C4'-P-C4' energy: -136.291 flat angles P-C4'-P energy: -83.485 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: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3035.264145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.264145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.264145 (E_RNA) where: Base-Base interactions energy: -2174.778 where: short stacking energy: -908.484 Base-Backbone interact. energy: -4.091 local terms energy: -856.394894 where: bonds (distance) C4'-P energy: -156.894 bonds (distance) P-C4' energy: -157.318 flat angles C4'-P-C4' energy: -186.360 flat angles P-C4'-P energy: -121.370 tors. eta vs tors. theta energy: -234.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2941.279432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.279432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.279432 (E_RNA) where: Base-Base interactions energy: -2078.866 where: short stacking energy: -884.134 Base-Backbone interact. energy: -4.515 local terms energy: -857.898308 where: bonds (distance) C4'-P energy: -156.266 bonds (distance) P-C4' energy: -161.747 flat angles C4'-P-C4' energy: -177.003 flat angles P-C4'-P energy: -125.254 tors. eta vs tors. theta energy: -237.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2808.216944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.216944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.216944 (E_RNA) where: Base-Base interactions energy: -2013.785 where: short stacking energy: -862.688 Base-Backbone interact. energy: -2.509 local terms energy: -791.922872 where: bonds (distance) C4'-P energy: -133.816 bonds (distance) P-C4' energy: -143.680 flat angles C4'-P-C4' energy: -187.239 flat angles P-C4'-P energy: -111.580 tors. eta vs tors. theta energy: -215.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2732.446140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.446140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.446140 (E_RNA) where: Base-Base interactions energy: -1942.446 where: short stacking energy: -804.222 Base-Backbone interact. energy: -3.010 local terms energy: -786.990215 where: bonds (distance) C4'-P energy: -140.849 bonds (distance) P-C4' energy: -145.008 flat angles C4'-P-C4' energy: -173.202 flat angles P-C4'-P energy: -109.895 tors. eta vs tors. theta energy: -218.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2630.391617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.391617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.391617 (E_RNA) where: Base-Base interactions energy: -1836.461 where: short stacking energy: -794.959 Base-Backbone interact. energy: -4.165 local terms energy: -789.765712 where: bonds (distance) C4'-P energy: -150.089 bonds (distance) P-C4' energy: -141.658 flat angles C4'-P-C4' energy: -170.203 flat angles P-C4'-P energy: -108.375 tors. eta vs tors. theta energy: -219.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2568.065345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.065345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.065345 (E_RNA) where: Base-Base interactions energy: -1835.090 where: short stacking energy: -776.347 Base-Backbone interact. energy: -2.127 local terms energy: -730.847742 where: bonds (distance) C4'-P energy: -119.943 bonds (distance) P-C4' energy: -126.597 flat angles C4'-P-C4' energy: -175.443 flat angles P-C4'-P energy: -82.529 tors. eta vs tors. theta energy: -226.336 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: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2365.324482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.324482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.324482 (E_RNA) where: Base-Base interactions energy: -1696.053 where: short stacking energy: -713.365 Base-Backbone interact. energy: -4.222 local terms energy: -665.049002 where: bonds (distance) C4'-P energy: -140.566 bonds (distance) P-C4' energy: -133.103 flat angles C4'-P-C4' energy: -126.559 flat angles P-C4'-P energy: -96.096 tors. eta vs tors. theta energy: -168.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -2106.403475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.403475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.403475 (E_RNA) where: Base-Base interactions energy: -1473.485 where: short stacking energy: -610.737 Base-Backbone interact. energy: -2.509 local terms energy: -630.409713 where: bonds (distance) C4'-P energy: -108.258 bonds (distance) P-C4' energy: -128.231 flat angles C4'-P-C4' energy: -154.773 flat angles P-C4'-P energy: -93.500 tors. eta vs tors. theta energy: -145.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1839.870791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.870791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.870791 (E_RNA) where: Base-Base interactions energy: -1241.320 where: short stacking energy: -552.599 Base-Backbone interact. energy: -0.154 local terms energy: -598.396854 where: bonds (distance) C4'-P energy: -115.732 bonds (distance) P-C4' energy: -125.617 flat angles C4'-P-C4' energy: -143.862 flat angles P-C4'-P energy: -93.842 tors. eta vs tors. theta energy: -119.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1646.608149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.608149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.608149 (E_RNA) where: Base-Base interactions energy: -1122.981 where: short stacking energy: -508.501 Base-Backbone interact. energy: 5.547 local terms energy: -529.174079 where: bonds (distance) C4'-P energy: -107.745 bonds (distance) P-C4' energy: -122.615 flat angles C4'-P-C4' energy: -134.773 flat angles P-C4'-P energy: -63.985 tors. eta vs tors. theta energy: -100.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3037.957262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.957262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.957262 (E_RNA) where: Base-Base interactions energy: -2175.048 where: short stacking energy: -896.595 Base-Backbone interact. energy: -2.392 local terms energy: -860.517261 where: bonds (distance) C4'-P energy: -151.047 bonds (distance) P-C4' energy: -161.998 flat angles C4'-P-C4' energy: -183.456 flat angles P-C4'-P energy: -134.391 tors. eta vs tors. theta energy: -229.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2946.076604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.076604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.076604 (E_RNA) where: Base-Base interactions energy: -2089.098 where: short stacking energy: -878.428 Base-Backbone interact. energy: -3.047 local terms energy: -853.931716 where: bonds (distance) C4'-P energy: -156.497 bonds (distance) P-C4' energy: -149.156 flat angles C4'-P-C4' energy: -199.942 flat angles P-C4'-P energy: -114.362 tors. eta vs tors. theta energy: -233.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2814.245652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.245652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.245652 (E_RNA) where: Base-Base interactions energy: -2016.691 where: short stacking energy: -855.525 Base-Backbone interact. energy: -4.599 local terms energy: -792.954965 where: bonds (distance) C4'-P energy: -154.463 bonds (distance) P-C4' energy: -147.787 flat angles C4'-P-C4' energy: -174.398 flat angles P-C4'-P energy: -97.106 tors. eta vs tors. theta energy: -219.202 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: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2749.989833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.989833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.989833 (E_RNA) where: Base-Base interactions energy: -1966.479 where: short stacking energy: -816.865 Base-Backbone interact. energy: -2.887 local terms energy: -780.623057 where: bonds (distance) C4'-P energy: -140.521 bonds (distance) P-C4' energy: -152.683 flat angles C4'-P-C4' energy: -176.269 flat angles P-C4'-P energy: -103.538 tors. eta vs tors. theta energy: -207.611 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: 340 Temperature: 1.100000 Total energy: -2640.307578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.307578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.307578 (E_RNA) where: Base-Base interactions energy: -1852.184 where: short stacking energy: -786.770 Base-Backbone interact. energy: -0.605 local terms energy: -787.518635 where: bonds (distance) C4'-P energy: -144.621 bonds (distance) P-C4' energy: -157.200 flat angles C4'-P-C4' energy: -178.570 flat angles P-C4'-P energy: -112.795 tors. eta vs tors. theta energy: -194.332 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: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2592.773852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.773852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.773852 (E_RNA) where: Base-Base interactions energy: -1832.809 where: short stacking energy: -792.394 Base-Backbone interact. energy: -3.871 local terms energy: -756.094268 where: bonds (distance) C4'-P energy: -131.626 bonds (distance) P-C4' energy: -140.510 flat angles C4'-P-C4' energy: -163.802 flat angles P-C4'-P energy: -106.213 tors. eta vs tors. theta energy: -213.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2364.244345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.244345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.244345 (E_RNA) where: Base-Base interactions energy: -1659.222 where: short stacking energy: -687.775 Base-Backbone interact. energy: -0.337 local terms energy: -704.684664 where: bonds (distance) C4'-P energy: -124.503 bonds (distance) P-C4' energy: -143.421 flat angles C4'-P-C4' energy: -158.217 flat angles P-C4'-P energy: -105.684 tors. eta vs tors. theta energy: -172.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -2111.240280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.240280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.240280 (E_RNA) where: Base-Base interactions energy: -1490.845 where: short stacking energy: -623.586 Base-Backbone interact. energy: -2.491 local terms energy: -617.903979 where: bonds (distance) C4'-P energy: -122.517 bonds (distance) P-C4' energy: -139.714 flat angles C4'-P-C4' energy: -135.398 flat angles P-C4'-P energy: -69.744 tors. eta vs tors. theta energy: -150.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1847.384921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.384921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.384921 (E_RNA) where: Base-Base interactions energy: -1267.701 where: short stacking energy: -538.127 Base-Backbone interact. energy: 1.788 local terms energy: -581.472031 where: bonds (distance) C4'-P energy: -132.019 bonds (distance) P-C4' energy: -151.826 flat angles C4'-P-C4' energy: -107.865 flat angles P-C4'-P energy: -72.280 tors. eta vs tors. theta energy: -117.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1619.081785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.081785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.081785 (E_RNA) where: Base-Base interactions energy: -1064.963 where: short stacking energy: -496.243 Base-Backbone interact. energy: 14.430 local terms energy: -568.548324 where: bonds (distance) C4'-P energy: -122.563 bonds (distance) P-C4' energy: -135.394 flat angles C4'-P-C4' energy: -136.944 flat angles P-C4'-P energy: -79.835 tors. eta vs tors. theta energy: -93.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3060.032271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.032271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.032271 (E_RNA) where: Base-Base interactions energy: -2194.891 where: short stacking energy: -894.599 Base-Backbone interact. energy: -6.034 local terms energy: -859.106399 where: bonds (distance) C4'-P energy: -161.309 bonds (distance) P-C4' energy: -156.231 flat angles C4'-P-C4' energy: -179.365 flat angles P-C4'-P energy: -132.985 tors. eta vs tors. theta energy: -229.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2962.623978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.623978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.623978 (E_RNA) where: Base-Base interactions energy: -2090.487 where: short stacking energy: -854.478 Base-Backbone interact. energy: -1.577 local terms energy: -870.559986 where: bonds (distance) C4'-P energy: -152.196 bonds (distance) P-C4' energy: -170.742 flat angles C4'-P-C4' energy: -179.550 flat angles P-C4'-P energy: -122.444 tors. eta vs tors. theta energy: -245.629 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: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2820.277546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.277546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.277546 (E_RNA) where: Base-Base interactions energy: -2005.947 where: short stacking energy: -838.175 Base-Backbone interact. energy: -3.543 local terms energy: -810.787729 where: bonds (distance) C4'-P energy: -150.395 bonds (distance) P-C4' energy: -147.844 flat angles C4'-P-C4' energy: -174.002 flat angles P-C4'-P energy: -120.645 tors. eta vs tors. theta energy: -217.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2719.280667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.280667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.280667 (E_RNA) where: Base-Base interactions energy: -1924.550 where: short stacking energy: -815.285 Base-Backbone interact. energy: -0.671 local terms energy: -794.060054 where: bonds (distance) C4'-P energy: -136.293 bonds (distance) P-C4' energy: -162.966 flat angles C4'-P-C4' energy: -175.156 flat angles P-C4'-P energy: -115.190 tors. eta vs tors. theta energy: -204.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2603.637024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.637024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.637024 (E_RNA) where: Base-Base interactions energy: -1854.549 where: short stacking energy: -768.370 Base-Backbone interact. energy: 0.955 local terms energy: -750.043032 where: bonds (distance) C4'-P energy: -142.735 bonds (distance) P-C4' energy: -124.479 flat angles C4'-P-C4' energy: -166.307 flat angles P-C4'-P energy: -103.416 tors. eta vs tors. theta energy: -213.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2548.458116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.458116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.458116 (E_RNA) where: Base-Base interactions energy: -1792.464 where: short stacking energy: -791.973 Base-Backbone interact. energy: -2.411 local terms energy: -753.583428 where: bonds (distance) C4'-P energy: -128.840 bonds (distance) P-C4' energy: -151.302 flat angles C4'-P-C4' energy: -152.733 flat angles P-C4'-P energy: -104.747 tors. eta vs tors. theta energy: -215.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2370.521163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.521163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.521163 (E_RNA) where: Base-Base interactions energy: -1720.819 where: short stacking energy: -704.315 Base-Backbone interact. energy: -3.493 local terms energy: -646.209044 where: bonds (distance) C4'-P energy: -118.305 bonds (distance) P-C4' energy: -136.659 flat angles C4'-P-C4' energy: -140.843 flat angles P-C4'-P energy: -102.151 tors. eta vs tors. theta energy: -148.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -2155.646383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.646383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.646383 (E_RNA) where: Base-Base interactions energy: -1490.751 where: short stacking energy: -618.740 Base-Backbone interact. energy: -0.330 local terms energy: -664.565180 where: bonds (distance) C4'-P energy: -139.164 bonds (distance) P-C4' energy: -124.585 flat angles C4'-P-C4' energy: -160.758 flat angles P-C4'-P energy: -101.548 tors. eta vs tors. theta energy: -138.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1823.275685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.275685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.275685 (E_RNA) where: Base-Base interactions energy: -1206.847 where: short stacking energy: -550.174 Base-Backbone interact. energy: -2.223 local terms energy: -614.205500 where: bonds (distance) C4'-P energy: -133.390 bonds (distance) P-C4' energy: -145.344 flat angles C4'-P-C4' energy: -132.060 flat angles P-C4'-P energy: -81.182 tors. eta vs tors. theta energy: -122.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1623.162781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.162781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.162781 (E_RNA) where: Base-Base interactions energy: -1089.827 where: short stacking energy: -502.692 Base-Backbone interact. energy: 0.791 local terms energy: -534.126766 where: bonds (distance) C4'-P energy: -123.453 bonds (distance) P-C4' energy: -130.511 flat angles C4'-P-C4' energy: -108.937 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -103.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3064.915283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.915283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.915283 (E_RNA) where: Base-Base interactions energy: -2222.681 where: short stacking energy: -924.477 Base-Backbone interact. energy: -8.020 local terms energy: -834.214324 where: bonds (distance) C4'-P energy: -159.700 bonds (distance) P-C4' energy: -153.160 flat angles C4'-P-C4' energy: -164.531 flat angles P-C4'-P energy: -123.722 tors. eta vs tors. theta energy: -233.101 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: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2957.209485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.209485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.209485 (E_RNA) where: Base-Base interactions energy: -2108.723 where: short stacking energy: -902.651 Base-Backbone interact. energy: -0.892 local terms energy: -847.594714 where: bonds (distance) C4'-P energy: -140.661 bonds (distance) P-C4' energy: -163.556 flat angles C4'-P-C4' energy: -180.202 flat angles P-C4'-P energy: -124.829 tors. eta vs tors. theta energy: -238.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2776.684991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.684991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.684991 (E_RNA) where: Base-Base interactions energy: -1971.997 where: short stacking energy: -848.955 Base-Backbone interact. energy: -0.302 local terms energy: -804.386461 where: bonds (distance) C4'-P energy: -143.334 bonds (distance) P-C4' energy: -152.405 flat angles C4'-P-C4' energy: -176.466 flat angles P-C4'-P energy: -123.488 tors. eta vs tors. theta energy: -208.693 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: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2751.772730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.772730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.772730 (E_RNA) where: Base-Base interactions energy: -2001.800 where: short stacking energy: -813.982 Base-Backbone interact. energy: -0.772 local terms energy: -749.199806 where: bonds (distance) C4'-P energy: -129.410 bonds (distance) P-C4' energy: -149.948 flat angles C4'-P-C4' energy: -166.511 flat angles P-C4'-P energy: -98.675 tors. eta vs tors. theta energy: -204.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2684.354332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.354332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.354332 (E_RNA) where: Base-Base interactions energy: -1883.267 where: short stacking energy: -780.308 Base-Backbone interact. energy: -3.136 local terms energy: -797.951045 where: bonds (distance) C4'-P energy: -139.325 bonds (distance) P-C4' energy: -143.091 flat angles C4'-P-C4' energy: -178.610 flat angles P-C4'-P energy: -122.081 tors. eta vs tors. theta energy: -214.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2506.319806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.319806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.319806 (E_RNA) where: Base-Base interactions energy: -1773.560 where: short stacking energy: -734.026 Base-Backbone interact. energy: -4.885 local terms energy: -727.875500 where: bonds (distance) C4'-P energy: -136.622 bonds (distance) P-C4' energy: -153.442 flat angles C4'-P-C4' energy: -160.675 flat angles P-C4'-P energy: -88.132 tors. eta vs tors. theta energy: -189.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2360.122216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.122216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.122216 (E_RNA) where: Base-Base interactions energy: -1664.625 where: short stacking energy: -683.596 Base-Backbone interact. energy: 0.674 local terms energy: -696.171071 where: bonds (distance) C4'-P energy: -115.574 bonds (distance) P-C4' energy: -126.653 flat angles C4'-P-C4' energy: -172.280 flat angles P-C4'-P energy: -98.057 tors. eta vs tors. theta energy: -183.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -2064.290477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.290477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.290477 (E_RNA) where: Base-Base interactions energy: -1462.821 where: short stacking energy: -627.341 Base-Backbone interact. energy: -2.649 local terms energy: -598.820055 where: bonds (distance) C4'-P energy: -99.556 bonds (distance) P-C4' energy: -133.188 flat angles C4'-P-C4' energy: -148.047 flat angles P-C4'-P energy: -80.953 tors. eta vs tors. theta energy: -137.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1889.833737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.833737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.833737 (E_RNA) where: Base-Base interactions energy: -1274.628 where: short stacking energy: -563.434 Base-Backbone interact. energy: 3.995 local terms energy: -619.200790 where: bonds (distance) C4'-P energy: -152.191 bonds (distance) P-C4' energy: -122.657 flat angles C4'-P-C4' energy: -130.574 flat angles P-C4'-P energy: -77.215 tors. eta vs tors. theta energy: -136.564 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: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1661.954602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.954602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.954602 (E_RNA) where: Base-Base interactions energy: -1118.403 where: short stacking energy: -477.009 Base-Backbone interact. energy: 2.732 local terms energy: -546.283350 where: bonds (distance) C4'-P energy: -115.179 bonds (distance) P-C4' energy: -122.748 flat angles C4'-P-C4' energy: -137.537 flat angles P-C4'-P energy: -78.514 tors. eta vs tors. theta energy: -92.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3071.308374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.308374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.308374 (E_RNA) where: Base-Base interactions energy: -2231.814 where: short stacking energy: -902.481 Base-Backbone interact. energy: 1.005 local terms energy: -840.498412 where: bonds (distance) C4'-P energy: -149.013 bonds (distance) P-C4' energy: -156.257 flat angles C4'-P-C4' energy: -177.312 flat angles P-C4'-P energy: -123.990 tors. eta vs tors. theta energy: -233.927 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: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2969.351846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.351846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.351846 (E_RNA) where: Base-Base interactions energy: -2079.915 where: short stacking energy: -891.512 Base-Backbone interact. energy: -7.041 local terms energy: -882.395238 where: bonds (distance) C4'-P energy: -172.371 bonds (distance) P-C4' energy: -158.841 flat angles C4'-P-C4' energy: -189.801 flat angles P-C4'-P energy: -115.801 tors. eta vs tors. theta energy: -245.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2813.741602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.741602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.741602 (E_RNA) where: Base-Base interactions energy: -2002.053 where: short stacking energy: -834.653 Base-Backbone interact. energy: -4.841 local terms energy: -806.847734 where: bonds (distance) C4'-P energy: -147.722 bonds (distance) P-C4' energy: -161.370 flat angles C4'-P-C4' energy: -172.502 flat angles P-C4'-P energy: -108.135 tors. eta vs tors. theta energy: -217.119 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: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2736.975187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.975187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.975187 (E_RNA) where: Base-Base interactions energy: -1950.730 where: short stacking energy: -803.987 Base-Backbone interact. energy: -3.760 local terms energy: -782.485006 where: bonds (distance) C4'-P energy: -158.944 bonds (distance) P-C4' energy: -127.322 flat angles C4'-P-C4' energy: -177.205 flat angles P-C4'-P energy: -106.425 tors. eta vs tors. theta energy: -212.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2626.632822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.632822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.632822 (E_RNA) where: Base-Base interactions energy: -1878.756 where: short stacking energy: -770.683 Base-Backbone interact. energy: -2.089 local terms energy: -745.788219 where: bonds (distance) C4'-P energy: -141.108 bonds (distance) P-C4' energy: -136.614 flat angles C4'-P-C4' energy: -155.268 flat angles P-C4'-P energy: -103.770 tors. eta vs tors. theta energy: -209.029 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: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2485.787285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.787285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.787285 (E_RNA) where: Base-Base interactions energy: -1806.270 where: short stacking energy: -734.376 Base-Backbone interact. energy: -3.415 local terms energy: -676.102282 where: bonds (distance) C4'-P energy: -113.712 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -144.420 flat angles P-C4'-P energy: -95.331 tors. eta vs tors. theta energy: -188.078 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: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2357.183478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.183478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.183478 (E_RNA) where: Base-Base interactions energy: -1651.451 where: short stacking energy: -704.441 Base-Backbone interact. energy: -2.198 local terms energy: -703.534207 where: bonds (distance) C4'-P energy: -150.304 bonds (distance) P-C4' energy: -143.721 flat angles C4'-P-C4' energy: -152.003 flat angles P-C4'-P energy: -88.134 tors. eta vs tors. theta energy: -169.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -2034.158526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.158526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.158526 (E_RNA) where: Base-Base interactions energy: -1396.245 where: short stacking energy: -582.465 Base-Backbone interact. energy: -0.037 local terms energy: -637.876301 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -135.854 flat angles C4'-P-C4' energy: -140.619 flat angles P-C4'-P energy: -101.248 tors. eta vs tors. theta energy: -123.271 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: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1955.388900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.388900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.388900 (E_RNA) where: Base-Base interactions energy: -1327.901 where: short stacking energy: -575.588 Base-Backbone interact. energy: -2.472 local terms energy: -625.015907 where: bonds (distance) C4'-P energy: -110.358 bonds (distance) P-C4' energy: -125.866 flat angles C4'-P-C4' energy: -161.554 flat angles P-C4'-P energy: -77.354 tors. eta vs tors. theta energy: -149.884 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: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1644.084070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.084070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.084070 (E_RNA) where: Base-Base interactions energy: -1095.658 where: short stacking energy: -470.178 Base-Backbone interact. energy: -1.752 local terms energy: -546.673541 where: bonds (distance) C4'-P energy: -128.080 bonds (distance) P-C4' energy: -129.801 flat angles C4'-P-C4' energy: -132.774 flat angles P-C4'-P energy: -77.383 tors. eta vs tors. theta energy: -78.636 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: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3035.365325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.365325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.365325 (E_RNA) where: Base-Base interactions energy: -2211.581 where: short stacking energy: -919.480 Base-Backbone interact. energy: -1.050 local terms energy: -822.734743 where: bonds (distance) C4'-P energy: -157.032 bonds (distance) P-C4' energy: -142.028 flat angles C4'-P-C4' energy: -180.812 flat angles P-C4'-P energy: -117.289 tors. eta vs tors. theta energy: -225.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2937.778579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.778579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.778579 (E_RNA) where: Base-Base interactions energy: -2080.565 where: short stacking energy: -866.557 Base-Backbone interact. energy: -6.807 local terms energy: -850.405871 where: bonds (distance) C4'-P energy: -158.936 bonds (distance) P-C4' energy: -154.889 flat angles C4'-P-C4' energy: -182.994 flat angles P-C4'-P energy: -119.580 tors. eta vs tors. theta energy: -234.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2813.410988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.410988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.410988 (E_RNA) where: Base-Base interactions energy: -2028.515 where: short stacking energy: -852.771 Base-Backbone interact. energy: -1.700 local terms energy: -783.196477 where: bonds (distance) C4'-P energy: -138.846 bonds (distance) P-C4' energy: -145.687 flat angles C4'-P-C4' energy: -174.235 flat angles P-C4'-P energy: -107.067 tors. eta vs tors. theta energy: -217.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2759.373424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.373424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.373424 (E_RNA) where: Base-Base interactions energy: -1966.489 where: short stacking energy: -806.676 Base-Backbone interact. energy: -2.916 local terms energy: -789.968202 where: bonds (distance) C4'-P energy: -153.978 bonds (distance) P-C4' energy: -143.420 flat angles C4'-P-C4' energy: -160.772 flat angles P-C4'-P energy: -114.844 tors. eta vs tors. theta energy: -216.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2666.157511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.157511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.157511 (E_RNA) where: Base-Base interactions energy: -1883.935 where: short stacking energy: -823.421 Base-Backbone interact. energy: -3.366 local terms energy: -778.856341 where: bonds (distance) C4'-P energy: -134.431 bonds (distance) P-C4' energy: -144.970 flat angles C4'-P-C4' energy: -165.632 flat angles P-C4'-P energy: -107.910 tors. eta vs tors. theta energy: -225.914 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: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2499.540311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.540311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.540311 (E_RNA) where: Base-Base interactions energy: -1760.535 where: short stacking energy: -759.432 Base-Backbone interact. energy: -3.400 local terms energy: -735.605539 where: bonds (distance) C4'-P energy: -136.791 bonds (distance) P-C4' energy: -138.735 flat angles C4'-P-C4' energy: -164.304 flat angles P-C4'-P energy: -107.051 tors. eta vs tors. theta energy: -188.724 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: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2310.288963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.288963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.288963 (E_RNA) where: Base-Base interactions energy: -1624.564 where: short stacking energy: -672.950 Base-Backbone interact. energy: -3.910 local terms energy: -681.814306 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -145.878 flat angles C4'-P-C4' energy: -152.832 flat angles P-C4'-P energy: -93.023 tors. eta vs tors. theta energy: -167.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -2034.291619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.291619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.291619 (E_RNA) where: Base-Base interactions energy: -1428.550 where: short stacking energy: -594.243 Base-Backbone interact. energy: 2.816 local terms energy: -608.557884 where: bonds (distance) C4'-P energy: -121.502 bonds (distance) P-C4' energy: -125.874 flat angles C4'-P-C4' energy: -132.643 flat angles P-C4'-P energy: -83.693 tors. eta vs tors. theta energy: -144.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1980.754568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.754568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.754568 (E_RNA) where: Base-Base interactions energy: -1344.458 where: short stacking energy: -604.284 Base-Backbone interact. energy: -0.383 local terms energy: -635.913035 where: bonds (distance) C4'-P energy: -130.066 bonds (distance) P-C4' energy: -130.838 flat angles C4'-P-C4' energy: -141.879 flat angles P-C4'-P energy: -99.482 tors. eta vs tors. theta energy: -133.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1606.315530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.315530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.315530 (E_RNA) where: Base-Base interactions energy: -1082.691 where: short stacking energy: -494.698 Base-Backbone interact. energy: 5.615 local terms energy: -529.239647 where: bonds (distance) C4'-P energy: -97.632 bonds (distance) P-C4' energy: -131.265 flat angles C4'-P-C4' energy: -118.177 flat angles P-C4'-P energy: -85.825 tors. eta vs tors. theta energy: -96.340 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: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3070.517432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.517432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.517432 (E_RNA) where: Base-Base interactions energy: -2211.075 where: short stacking energy: -906.177 Base-Backbone interact. energy: -6.041 local terms energy: -853.401815 where: bonds (distance) C4'-P energy: -150.704 bonds (distance) P-C4' energy: -166.152 flat angles C4'-P-C4' energy: -187.698 flat angles P-C4'-P energy: -115.756 tors. eta vs tors. theta energy: -233.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2918.979733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.979733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.979733 (E_RNA) where: Base-Base interactions energy: -2076.469 where: short stacking energy: -839.165 Base-Backbone interact. energy: -4.488 local terms energy: -838.022590 where: bonds (distance) C4'-P energy: -159.579 bonds (distance) P-C4' energy: -155.422 flat angles C4'-P-C4' energy: -185.414 flat angles P-C4'-P energy: -118.451 tors. eta vs tors. theta energy: -219.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2805.835635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.835635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.835635 (E_RNA) where: Base-Base interactions energy: -1989.817 where: short stacking energy: -836.811 Base-Backbone interact. energy: -2.846 local terms energy: -813.172718 where: bonds (distance) C4'-P energy: -148.791 bonds (distance) P-C4' energy: -148.719 flat angles C4'-P-C4' energy: -181.375 flat angles P-C4'-P energy: -124.844 tors. eta vs tors. theta energy: -209.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2759.950396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.950396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.950396 (E_RNA) where: Base-Base interactions energy: -1963.566 where: short stacking energy: -816.796 Base-Backbone interact. energy: -2.137 local terms energy: -794.246978 where: bonds (distance) C4'-P energy: -144.855 bonds (distance) P-C4' energy: -161.773 flat angles C4'-P-C4' energy: -168.066 flat angles P-C4'-P energy: -104.396 tors. eta vs tors. theta energy: -215.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2587.246977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.246977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.246977 (E_RNA) where: Base-Base interactions energy: -1824.290 where: short stacking energy: -789.112 Base-Backbone interact. energy: -2.511 local terms energy: -760.446571 where: bonds (distance) C4'-P energy: -130.132 bonds (distance) P-C4' energy: -145.305 flat angles C4'-P-C4' energy: -165.901 flat angles P-C4'-P energy: -108.715 tors. eta vs tors. theta energy: -210.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2463.976354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.976354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.976354 (E_RNA) where: Base-Base interactions energy: -1754.688 where: short stacking energy: -734.415 Base-Backbone interact. energy: -2.743 local terms energy: -706.545907 where: bonds (distance) C4'-P energy: -136.035 bonds (distance) P-C4' energy: -135.496 flat angles C4'-P-C4' energy: -151.559 flat angles P-C4'-P energy: -108.072 tors. eta vs tors. theta energy: -175.384 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: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2361.850965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.850965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.850965 (E_RNA) where: Base-Base interactions energy: -1662.830 where: short stacking energy: -675.883 Base-Backbone interact. energy: 2.569 local terms energy: -701.590093 where: bonds (distance) C4'-P energy: -139.581 bonds (distance) P-C4' energy: -129.102 flat angles C4'-P-C4' energy: -160.672 flat angles P-C4'-P energy: -99.671 tors. eta vs tors. theta energy: -172.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1969.613116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.613116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.613116 (E_RNA) where: Base-Base interactions energy: -1360.796 where: short stacking energy: -553.408 Base-Backbone interact. energy: -3.542 local terms energy: -605.275097 where: bonds (distance) C4'-P energy: -142.338 bonds (distance) P-C4' energy: -135.867 flat angles C4'-P-C4' energy: -134.308 flat angles P-C4'-P energy: -90.862 tors. eta vs tors. theta energy: -101.900 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: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1997.875797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.875797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.875797 (E_RNA) where: Base-Base interactions energy: -1396.499 where: short stacking energy: -605.700 Base-Backbone interact. energy: -3.453 local terms energy: -597.923395 where: bonds (distance) C4'-P energy: -107.945 bonds (distance) P-C4' energy: -107.499 flat angles C4'-P-C4' energy: -141.025 flat angles P-C4'-P energy: -93.925 tors. eta vs tors. theta energy: -147.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1633.373227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.373227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.373227 (E_RNA) where: Base-Base interactions energy: -1089.176 where: short stacking energy: -500.149 Base-Backbone interact. energy: -2.045 local terms energy: -542.152825 where: bonds (distance) C4'-P energy: -132.764 bonds (distance) P-C4' energy: -129.951 flat angles C4'-P-C4' energy: -117.610 flat angles P-C4'-P energy: -70.787 tors. eta vs tors. theta energy: -91.041 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: 346 Temperature: 0.900000 Total energy: -3044.546529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.546529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.546529 (E_RNA) where: Base-Base interactions energy: -2194.993 where: short stacking energy: -895.291 Base-Backbone interact. energy: -8.680 local terms energy: -840.874321 where: bonds (distance) C4'-P energy: -158.300 bonds (distance) P-C4' energy: -148.282 flat angles C4'-P-C4' energy: -168.931 flat angles P-C4'-P energy: -136.840 tors. eta vs tors. theta energy: -228.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2918.801725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.801725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.801725 (E_RNA) where: Base-Base interactions energy: -2071.319 where: short stacking energy: -862.102 Base-Backbone interact. energy: 0.236 local terms energy: -847.719103 where: bonds (distance) C4'-P energy: -149.474 bonds (distance) P-C4' energy: -167.520 flat angles C4'-P-C4' energy: -170.459 flat angles P-C4'-P energy: -122.203 tors. eta vs tors. theta energy: -238.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2847.701692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.701692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.701692 (E_RNA) where: Base-Base interactions energy: -2028.393 where: short stacking energy: -847.750 Base-Backbone interact. energy: -1.298 local terms energy: -818.010620 where: bonds (distance) C4'-P energy: -154.370 bonds (distance) P-C4' energy: -147.633 flat angles C4'-P-C4' energy: -180.020 flat angles P-C4'-P energy: -118.561 tors. eta vs tors. theta energy: -217.427 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: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2741.865853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.865853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.865853 (E_RNA) where: Base-Base interactions energy: -1959.906 where: short stacking energy: -803.320 Base-Backbone interact. energy: -3.266 local terms energy: -778.693572 where: bonds (distance) C4'-P energy: -139.506 bonds (distance) P-C4' energy: -152.905 flat angles C4'-P-C4' energy: -175.762 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -208.743 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: 5, replica: 7 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2582.285686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.285686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.285686 (E_RNA) where: Base-Base interactions energy: -1837.835 where: short stacking energy: -813.461 Base-Backbone interact. energy: -2.932 local terms energy: -741.518547 where: bonds (distance) C4'-P energy: -123.146 bonds (distance) P-C4' energy: -147.739 flat angles C4'-P-C4' energy: -166.959 flat angles P-C4'-P energy: -83.869 tors. eta vs tors. theta energy: -219.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2486.329161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.329161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.329161 (E_RNA) where: Base-Base interactions energy: -1823.828 where: short stacking energy: -753.351 Base-Backbone interact. energy: -3.304 local terms energy: -659.197297 where: bonds (distance) C4'-P energy: -123.899 bonds (distance) P-C4' energy: -109.305 flat angles C4'-P-C4' energy: -155.099 flat angles P-C4'-P energy: -100.496 tors. eta vs tors. theta energy: -170.399 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: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2389.155246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.155246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.155246 (E_RNA) where: Base-Base interactions energy: -1731.824 where: short stacking energy: -697.704 Base-Backbone interact. energy: 3.509 local terms energy: -660.840181 where: bonds (distance) C4'-P energy: -113.577 bonds (distance) P-C4' energy: -138.343 flat angles C4'-P-C4' energy: -160.383 flat angles P-C4'-P energy: -79.761 tors. eta vs tors. theta energy: -168.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1989.327002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.327002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.327002 (E_RNA) where: Base-Base interactions energy: -1412.488 where: short stacking energy: -589.976 Base-Backbone interact. energy: -1.586 local terms energy: -575.252515 where: bonds (distance) C4'-P energy: -108.135 bonds (distance) P-C4' energy: -116.161 flat angles C4'-P-C4' energy: -143.224 flat angles P-C4'-P energy: -85.582 tors. eta vs tors. theta energy: -122.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1980.405241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.405241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.405241 (E_RNA) where: Base-Base interactions energy: -1359.249 where: short stacking energy: -575.454 Base-Backbone interact. energy: -2.090 local terms energy: -619.065881 where: bonds (distance) C4'-P energy: -129.691 bonds (distance) P-C4' energy: -130.740 flat angles C4'-P-C4' energy: -136.021 flat angles P-C4'-P energy: -75.682 tors. eta vs tors. theta energy: -146.931 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: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1551.510147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.510147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.510147 (E_RNA) where: Base-Base interactions energy: -1010.321 where: short stacking energy: -439.475 Base-Backbone interact. energy: 2.573 local terms energy: -543.761872 where: bonds (distance) C4'-P energy: -134.735 bonds (distance) P-C4' energy: -117.803 flat angles C4'-P-C4' energy: -130.527 flat angles P-C4'-P energy: -83.758 tors. eta vs tors. theta energy: -76.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3044.609653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.609653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.609653 (E_RNA) where: Base-Base interactions energy: -2185.548 where: short stacking energy: -890.873 Base-Backbone interact. energy: -4.566 local terms energy: -854.495635 where: bonds (distance) C4'-P energy: -144.134 bonds (distance) P-C4' energy: -164.839 flat angles C4'-P-C4' energy: -185.232 flat angles P-C4'-P energy: -133.983 tors. eta vs tors. theta energy: -226.308 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: 347 Temperature: 0.950000 Total energy: -2931.973388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.973388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.973388 (E_RNA) where: Base-Base interactions energy: -2068.399 where: short stacking energy: -842.959 Base-Backbone interact. energy: -4.113 local terms energy: -859.461516 where: bonds (distance) C4'-P energy: -164.483 bonds (distance) P-C4' energy: -159.080 flat angles C4'-P-C4' energy: -175.790 flat angles P-C4'-P energy: -124.162 tors. eta vs tors. theta energy: -235.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2873.755468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.755468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.755468 (E_RNA) where: Base-Base interactions energy: -2024.504 where: short stacking energy: -848.988 Base-Backbone interact. energy: -5.085 local terms energy: -844.166227 where: bonds (distance) C4'-P energy: -158.696 bonds (distance) P-C4' energy: -169.982 flat angles C4'-P-C4' energy: -182.774 flat angles P-C4'-P energy: -107.902 tors. eta vs tors. theta energy: -224.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2756.742317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.742317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.742317 (E_RNA) where: Base-Base interactions energy: -1958.204 where: short stacking energy: -821.347 Base-Backbone interact. energy: 0.257 local terms energy: -798.795402 where: bonds (distance) C4'-P energy: -150.897 bonds (distance) P-C4' energy: -158.301 flat angles C4'-P-C4' energy: -162.120 flat angles P-C4'-P energy: -112.263 tors. eta vs tors. theta energy: -215.214 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: 347 Temperature: 1.100000 Total energy: -2584.209253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.209253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.209253 (E_RNA) where: Base-Base interactions energy: -1802.256 where: short stacking energy: -774.393 Base-Backbone interact. energy: -2.229 local terms energy: -779.724847 where: bonds (distance) C4'-P energy: -132.739 bonds (distance) P-C4' energy: -161.363 flat angles C4'-P-C4' energy: -177.785 flat angles P-C4'-P energy: -99.587 tors. eta vs tors. theta energy: -208.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2492.387398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.387398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.387398 (E_RNA) where: Base-Base interactions energy: -1765.794 where: short stacking energy: -729.722 Base-Backbone interact. energy: -3.632 local terms energy: -722.960838 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -154.664 flat angles C4'-P-C4' energy: -158.421 flat angles P-C4'-P energy: -92.832 tors. eta vs tors. theta energy: -182.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2389.433037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.433037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.433037 (E_RNA) where: Base-Base interactions energy: -1678.816 where: short stacking energy: -714.680 Base-Backbone interact. energy: -2.539 local terms energy: -708.078042 where: bonds (distance) C4'-P energy: -145.738 bonds (distance) P-C4' energy: -130.767 flat angles C4'-P-C4' energy: -153.395 flat angles P-C4'-P energy: -104.289 tors. eta vs tors. theta energy: -173.890 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: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -2009.223662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.223662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.223662 (E_RNA) where: Base-Base interactions energy: -1410.183 where: short stacking energy: -617.242 Base-Backbone interact. energy: -2.963 local terms energy: -596.078127 where: bonds (distance) C4'-P energy: -119.937 bonds (distance) P-C4' energy: -139.614 flat angles C4'-P-C4' energy: -137.590 flat angles P-C4'-P energy: -75.219 tors. eta vs tors. theta energy: -123.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1990.562843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.562843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.562843 (E_RNA) where: Base-Base interactions energy: -1371.802 where: short stacking energy: -612.589 Base-Backbone interact. energy: 2.150 local terms energy: -620.910361 where: bonds (distance) C4'-P energy: -125.346 bonds (distance) P-C4' energy: -136.740 flat angles C4'-P-C4' energy: -149.765 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -135.022 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: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1578.751390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.751390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.751390 (E_RNA) where: Base-Base interactions energy: -1092.563 where: short stacking energy: -453.152 Base-Backbone interact. energy: 2.203 local terms energy: -488.391347 where: bonds (distance) C4'-P energy: -115.716 bonds (distance) P-C4' energy: -130.442 flat angles C4'-P-C4' energy: -111.631 flat angles P-C4'-P energy: -59.604 tors. eta vs tors. theta energy: -70.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3045.024979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.024979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.024979 (E_RNA) where: Base-Base interactions energy: -2199.771 where: short stacking energy: -882.739 Base-Backbone interact. energy: -3.893 local terms energy: -841.361088 where: bonds (distance) C4'-P energy: -149.785 bonds (distance) P-C4' energy: -167.808 flat angles C4'-P-C4' energy: -179.369 flat angles P-C4'-P energy: -122.819 tors. eta vs tors. theta energy: -221.580 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: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2954.800757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.800757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.800757 (E_RNA) where: Base-Base interactions energy: -2087.516 where: short stacking energy: -875.828 Base-Backbone interact. energy: -3.830 local terms energy: -863.454227 where: bonds (distance) C4'-P energy: -158.844 bonds (distance) P-C4' energy: -164.997 flat angles C4'-P-C4' energy: -184.567 flat angles P-C4'-P energy: -119.400 tors. eta vs tors. theta energy: -235.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2820.805809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.805809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.805809 (E_RNA) where: Base-Base interactions energy: -2017.706 where: short stacking energy: -849.410 Base-Backbone interact. energy: 1.812 local terms energy: -804.912086 where: bonds (distance) C4'-P energy: -148.344 bonds (distance) P-C4' energy: -156.938 flat angles C4'-P-C4' energy: -175.822 flat angles P-C4'-P energy: -99.611 tors. eta vs tors. theta energy: -224.197 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: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2729.156538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.156538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.156538 (E_RNA) where: Base-Base interactions energy: -1934.147 where: short stacking energy: -789.651 Base-Backbone interact. energy: -4.623 local terms energy: -790.386018 where: bonds (distance) C4'-P energy: -140.463 bonds (distance) P-C4' energy: -151.606 flat angles C4'-P-C4' energy: -162.595 flat angles P-C4'-P energy: -117.924 tors. eta vs tors. theta energy: -217.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2582.816365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.816365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.816365 (E_RNA) where: Base-Base interactions energy: -1833.034 where: short stacking energy: -807.194 Base-Backbone interact. energy: 0.225 local terms energy: -750.007673 where: bonds (distance) C4'-P energy: -123.514 bonds (distance) P-C4' energy: -153.959 flat angles C4'-P-C4' energy: -169.242 flat angles P-C4'-P energy: -93.421 tors. eta vs tors. theta energy: -209.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2481.762910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.762910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.762910 (E_RNA) where: Base-Base interactions energy: -1766.321 where: short stacking energy: -732.366 Base-Backbone interact. energy: -0.421 local terms energy: -715.021122 where: bonds (distance) C4'-P energy: -118.203 bonds (distance) P-C4' energy: -142.279 flat angles C4'-P-C4' energy: -165.946 flat angles P-C4'-P energy: -105.227 tors. eta vs tors. theta energy: -183.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2390.859787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.859787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.859787 (E_RNA) where: Base-Base interactions energy: -1712.648 where: short stacking energy: -732.942 Base-Backbone interact. energy: 0.851 local terms energy: -679.063237 where: bonds (distance) C4'-P energy: -134.634 bonds (distance) P-C4' energy: -123.252 flat angles C4'-P-C4' energy: -145.202 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -187.691 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: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -2044.562120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.562120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.562120 (E_RNA) where: Base-Base interactions energy: -1438.404 where: short stacking energy: -602.991 Base-Backbone interact. energy: 0.176 local terms energy: -606.334329 where: bonds (distance) C4'-P energy: -118.438 bonds (distance) P-C4' energy: -137.646 flat angles C4'-P-C4' energy: -133.878 flat angles P-C4'-P energy: -82.191 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: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -2021.920215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.920215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.920215 (E_RNA) where: Base-Base interactions energy: -1402.269 where: short stacking energy: -644.555 Base-Backbone interact. energy: 4.502 local terms energy: -624.153061 where: bonds (distance) C4'-P energy: -106.833 bonds (distance) P-C4' energy: -127.922 flat angles C4'-P-C4' energy: -139.409 flat angles P-C4'-P energy: -88.219 tors. eta vs tors. theta energy: -161.770 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: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1623.440305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.440305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.440305 (E_RNA) where: Base-Base interactions energy: -1068.281 where: short stacking energy: -451.875 Base-Backbone interact. energy: 3.103 local terms energy: -558.262078 where: bonds (distance) C4'-P energy: -138.509 bonds (distance) P-C4' energy: -140.203 flat angles C4'-P-C4' energy: -113.184 flat angles P-C4'-P energy: -78.058 tors. eta vs tors. theta energy: -88.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3026.910324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.910324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.910324 (E_RNA) where: Base-Base interactions energy: -2162.416 where: short stacking energy: -880.192 Base-Backbone interact. energy: -4.047 local terms energy: -860.447304 where: bonds (distance) C4'-P energy: -161.913 bonds (distance) P-C4' energy: -164.397 flat angles C4'-P-C4' energy: -183.639 flat angles P-C4'-P energy: -130.375 tors. eta vs tors. theta energy: -220.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2946.520095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.520095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.520095 (E_RNA) where: Base-Base interactions energy: -2098.415 where: short stacking energy: -857.056 Base-Backbone interact. energy: -4.661 local terms energy: -843.444557 where: bonds (distance) C4'-P energy: -157.858 bonds (distance) P-C4' energy: -163.618 flat angles C4'-P-C4' energy: -175.495 flat angles P-C4'-P energy: -110.509 tors. eta vs tors. theta energy: -235.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2832.915516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.915516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.915516 (E_RNA) where: Base-Base interactions energy: -1995.737 where: short stacking energy: -858.451 Base-Backbone interact. energy: -6.192 local terms energy: -830.986952 where: bonds (distance) C4'-P energy: -156.919 bonds (distance) P-C4' energy: -162.663 flat angles C4'-P-C4' energy: -170.350 flat angles P-C4'-P energy: -112.603 tors. eta vs tors. theta energy: -228.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2695.941423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.941423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.941423 (E_RNA) where: Base-Base interactions energy: -1897.818 where: short stacking energy: -821.487 Base-Backbone interact. energy: -1.602 local terms energy: -796.521229 where: bonds (distance) C4'-P energy: -140.078 bonds (distance) P-C4' energy: -139.861 flat angles C4'-P-C4' energy: -179.139 flat angles P-C4'-P energy: -115.893 tors. eta vs tors. theta energy: -221.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2671.823256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.823256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.823256 (E_RNA) where: Base-Base interactions energy: -1913.364 where: short stacking energy: -798.558 Base-Backbone interact. energy: -0.464 local terms energy: -757.995170 where: bonds (distance) C4'-P energy: -127.279 bonds (distance) P-C4' energy: -138.651 flat angles C4'-P-C4' energy: -161.589 flat angles P-C4'-P energy: -116.509 tors. eta vs tors. theta energy: -213.967 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: 10 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2518.874177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.874177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.874177 (E_RNA) where: Base-Base interactions energy: -1811.257 where: short stacking energy: -746.545 Base-Backbone interact. energy: -0.092 local terms energy: -707.524619 where: bonds (distance) C4'-P energy: -97.122 bonds (distance) P-C4' energy: -145.412 flat angles C4'-P-C4' energy: -170.569 flat angles P-C4'-P energy: -101.027 tors. eta vs tors. theta energy: -193.394 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: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2359.155825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.155825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.155825 (E_RNA) where: Base-Base interactions energy: -1695.500 where: short stacking energy: -712.861 Base-Backbone interact. energy: -4.821 local terms energy: -658.834901 where: bonds (distance) C4'-P energy: -120.283 bonds (distance) P-C4' energy: -124.126 flat angles C4'-P-C4' energy: -143.397 flat angles P-C4'-P energy: -97.175 tors. eta vs tors. theta energy: -173.854 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: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -2063.743130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.743130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.743130 (E_RNA) where: Base-Base interactions energy: -1420.749 where: short stacking energy: -603.645 Base-Backbone interact. energy: -2.706 local terms energy: -640.288274 where: bonds (distance) C4'-P energy: -120.896 bonds (distance) P-C4' energy: -143.110 flat angles C4'-P-C4' energy: -142.569 flat angles P-C4'-P energy: -86.236 tors. eta vs tors. theta energy: -147.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1979.731092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.731092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.731092 (E_RNA) where: Base-Base interactions energy: -1385.147 where: short stacking energy: -579.499 Base-Backbone interact. energy: -0.361 local terms energy: -594.223283 where: bonds (distance) C4'-P energy: -125.131 bonds (distance) P-C4' energy: -122.177 flat angles C4'-P-C4' energy: -136.587 flat angles P-C4'-P energy: -87.127 tors. eta vs tors. theta energy: -123.201 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: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1648.948091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.948091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.948091 (E_RNA) where: Base-Base interactions energy: -1100.768 where: short stacking energy: -466.013 Base-Backbone interact. energy: -0.905 local terms energy: -547.274801 where: bonds (distance) C4'-P energy: -122.269 bonds (distance) P-C4' energy: -110.083 flat angles C4'-P-C4' energy: -137.393 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -103.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3058.465467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.465467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.465467 (E_RNA) where: Base-Base interactions energy: -2194.213 where: short stacking energy: -881.455 Base-Backbone interact. energy: -1.467 local terms energy: -862.784883 where: bonds (distance) C4'-P energy: -167.841 bonds (distance) P-C4' energy: -171.609 flat angles C4'-P-C4' energy: -170.101 flat angles P-C4'-P energy: -129.999 tors. eta vs tors. theta energy: -223.235 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: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2925.974671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.974671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.974671 (E_RNA) where: Base-Base interactions energy: -2106.401 where: short stacking energy: -884.352 Base-Backbone interact. energy: -2.943 local terms energy: -816.630734 where: bonds (distance) C4'-P energy: -142.863 bonds (distance) P-C4' energy: -152.787 flat angles C4'-P-C4' energy: -173.194 flat angles P-C4'-P energy: -112.082 tors. eta vs tors. theta energy: -235.705 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: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2794.025518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.025518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.025518 (E_RNA) where: Base-Base interactions energy: -1980.264 where: short stacking energy: -848.969 Base-Backbone interact. energy: -2.095 local terms energy: -811.666430 where: bonds (distance) C4'-P energy: -148.289 bonds (distance) P-C4' energy: -155.772 flat angles C4'-P-C4' energy: -182.711 flat angles P-C4'-P energy: -113.617 tors. eta vs tors. theta energy: -211.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2687.500840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.500840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.500840 (E_RNA) where: Base-Base interactions energy: -1886.572 where: short stacking energy: -800.165 Base-Backbone interact. energy: 0.014 local terms energy: -800.943337 where: bonds (distance) C4'-P energy: -135.847 bonds (distance) P-C4' energy: -146.039 flat angles C4'-P-C4' energy: -173.870 flat angles P-C4'-P energy: -115.483 tors. eta vs tors. theta energy: -229.705 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: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2661.369729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.369729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.369729 (E_RNA) where: Base-Base interactions energy: -1911.927 where: short stacking energy: -792.754 Base-Backbone interact. energy: -6.738 local terms energy: -742.704292 where: bonds (distance) C4'-P energy: -155.971 bonds (distance) P-C4' energy: -114.018 flat angles C4'-P-C4' energy: -170.344 flat angles P-C4'-P energy: -99.730 tors. eta vs tors. theta energy: -202.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2565.361133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.361133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.361133 (E_RNA) where: Base-Base interactions energy: -1838.628 where: short stacking energy: -769.377 Base-Backbone interact. energy: 1.640 local terms energy: -728.373216 where: bonds (distance) C4'-P energy: -139.456 bonds (distance) P-C4' energy: -121.666 flat angles C4'-P-C4' energy: -163.868 flat angles P-C4'-P energy: -116.878 tors. eta vs tors. theta energy: -186.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2395.450404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.450404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.450404 (E_RNA) where: Base-Base interactions energy: -1680.531 where: short stacking energy: -738.583 Base-Backbone interact. energy: -4.019 local terms energy: -710.900688 where: bonds (distance) C4'-P energy: -113.257 bonds (distance) P-C4' energy: -134.354 flat angles C4'-P-C4' energy: -165.252 flat angles P-C4'-P energy: -105.594 tors. eta vs tors. theta energy: -192.444 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: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -2124.079043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.079043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.079043 (E_RNA) where: Base-Base interactions energy: -1470.484 where: short stacking energy: -644.928 Base-Backbone interact. energy: -0.626 local terms energy: -652.968915 where: bonds (distance) C4'-P energy: -111.705 bonds (distance) P-C4' energy: -142.379 flat angles C4'-P-C4' energy: -139.730 flat angles P-C4'-P energy: -91.448 tors. eta vs tors. theta energy: -167.707 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: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1918.280937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.280937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.280937 (E_RNA) where: Base-Base interactions energy: -1303.017 where: short stacking energy: -552.672 Base-Backbone interact. energy: 2.536 local terms energy: -617.800031 where: bonds (distance) C4'-P energy: -132.410 bonds (distance) P-C4' energy: -147.382 flat angles C4'-P-C4' energy: -142.038 flat angles P-C4'-P energy: -86.063 tors. eta vs tors. theta energy: -109.907 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: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1642.544592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.544592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.544592 (E_RNA) where: Base-Base interactions energy: -1117.098 where: short stacking energy: -508.269 Base-Backbone interact. energy: 5.568 local terms energy: -531.015149 where: bonds (distance) C4'-P energy: -113.935 bonds (distance) P-C4' energy: -144.451 flat angles C4'-P-C4' energy: -127.669 flat angles P-C4'-P energy: -63.234 tors. eta vs tors. theta energy: -81.726 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: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3047.058057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.058057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.058057 (E_RNA) where: Base-Base interactions energy: -2182.869 where: short stacking energy: -906.106 Base-Backbone interact. energy: -1.203 local terms energy: -862.985471 where: bonds (distance) C4'-P energy: -154.408 bonds (distance) P-C4' energy: -163.318 flat angles C4'-P-C4' energy: -175.647 flat angles P-C4'-P energy: -132.986 tors. eta vs tors. theta energy: -236.627 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: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2938.461551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.461551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.461551 (E_RNA) where: Base-Base interactions energy: -2101.548 where: short stacking energy: -875.135 Base-Backbone interact. energy: -7.783 local terms energy: -829.130586 where: bonds (distance) C4'-P energy: -153.625 bonds (distance) P-C4' energy: -149.552 flat angles C4'-P-C4' energy: -169.585 flat angles P-C4'-P energy: -111.189 tors. eta vs tors. theta energy: -245.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2787.161681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.161681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.161681 (E_RNA) where: Base-Base interactions energy: -1995.995 where: short stacking energy: -842.554 Base-Backbone interact. energy: 0.225 local terms energy: -791.391026 where: bonds (distance) C4'-P energy: -134.819 bonds (distance) P-C4' energy: -139.511 flat angles C4'-P-C4' energy: -171.228 flat angles P-C4'-P energy: -125.071 tors. eta vs tors. theta energy: -220.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2708.088303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.088303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.088303 (E_RNA) where: Base-Base interactions energy: -1897.290 where: short stacking energy: -829.307 Base-Backbone interact. energy: -3.353 local terms energy: -807.446090 where: bonds (distance) C4'-P energy: -152.414 bonds (distance) P-C4' energy: -135.320 flat angles C4'-P-C4' energy: -176.246 flat angles P-C4'-P energy: -110.649 tors. eta vs tors. theta energy: -232.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2604.749765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.749765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.749765 (E_RNA) where: Base-Base interactions energy: -1840.526 where: short stacking energy: -761.476 Base-Backbone interact. energy: -5.265 local terms energy: -758.959097 where: bonds (distance) C4'-P energy: -143.972 bonds (distance) P-C4' energy: -135.947 flat angles C4'-P-C4' energy: -170.541 flat angles P-C4'-P energy: -105.533 tors. eta vs tors. theta energy: -202.967 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: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2553.674198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.674198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.674198 (E_RNA) where: Base-Base interactions energy: -1844.331 where: short stacking energy: -771.289 Base-Backbone interact. energy: 1.109 local terms energy: -710.452403 where: bonds (distance) C4'-P energy: -127.658 bonds (distance) P-C4' energy: -152.442 flat angles C4'-P-C4' energy: -144.969 flat angles P-C4'-P energy: -96.976 tors. eta vs tors. theta energy: -188.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2347.154257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.154257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.154257 (E_RNA) where: Base-Base interactions energy: -1706.567 where: short stacking energy: -684.020 Base-Backbone interact. energy: 3.527 local terms energy: -644.113771 where: bonds (distance) C4'-P energy: -127.118 bonds (distance) P-C4' energy: -138.050 flat angles C4'-P-C4' energy: -145.786 flat angles P-C4'-P energy: -87.626 tors. eta vs tors. theta energy: -145.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -2152.654990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.654990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.654990 (E_RNA) where: Base-Base interactions energy: -1478.727 where: short stacking energy: -643.616 Base-Backbone interact. energy: 1.642 local terms energy: -675.569534 where: bonds (distance) C4'-P energy: -138.299 bonds (distance) P-C4' energy: -140.459 flat angles C4'-P-C4' energy: -142.212 flat angles P-C4'-P energy: -86.192 tors. eta vs tors. theta energy: -168.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1823.210137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.210137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.210137 (E_RNA) where: Base-Base interactions energy: -1257.403 where: short stacking energy: -524.206 Base-Backbone interact. energy: -4.031 local terms energy: -561.776735 where: bonds (distance) C4'-P energy: -118.837 bonds (distance) P-C4' energy: -123.582 flat angles C4'-P-C4' energy: -147.464 flat angles P-C4'-P energy: -70.897 tors. eta vs tors. theta energy: -100.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1495.364574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.364574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.364574 (E_RNA) where: Base-Base interactions energy: -969.437 where: short stacking energy: -436.569 Base-Backbone interact. energy: 7.198 local terms energy: -533.125339 where: bonds (distance) C4'-P energy: -130.656 bonds (distance) P-C4' energy: -143.031 flat angles C4'-P-C4' energy: -119.665 flat angles P-C4'-P energy: -65.371 tors. eta vs tors. theta energy: -74.402 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: 1, replica: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3042.614253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.614253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.614253 (E_RNA) where: Base-Base interactions energy: -2180.934 where: short stacking energy: -889.778 Base-Backbone interact. energy: -3.446 local terms energy: -858.234664 where: bonds (distance) C4'-P energy: -160.787 bonds (distance) P-C4' energy: -158.102 flat angles C4'-P-C4' energy: -175.635 flat angles P-C4'-P energy: -120.840 tors. eta vs tors. theta energy: -242.870 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: 352 Temperature: 0.950000 Total energy: -2967.484041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.484041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.484041 (E_RNA) where: Base-Base interactions energy: -2093.273 where: short stacking energy: -892.530 Base-Backbone interact. energy: -6.939 local terms energy: -867.272902 where: bonds (distance) C4'-P energy: -138.905 bonds (distance) P-C4' energy: -161.295 flat angles C4'-P-C4' energy: -187.623 flat angles P-C4'-P energy: -128.106 tors. eta vs tors. theta energy: -251.343 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: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2828.456950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.456950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.456950 (E_RNA) where: Base-Base interactions energy: -2001.797 where: short stacking energy: -820.107 Base-Backbone interact. energy: 4.142 local terms energy: -830.802425 where: bonds (distance) C4'-P energy: -152.894 bonds (distance) P-C4' energy: -153.485 flat angles C4'-P-C4' energy: -172.531 flat angles P-C4'-P energy: -125.879 tors. eta vs tors. theta energy: -226.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2707.224967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.224967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.224967 (E_RNA) where: Base-Base interactions energy: -1897.698 where: short stacking energy: -823.626 Base-Backbone interact. energy: -0.681 local terms energy: -808.846348 where: bonds (distance) C4'-P energy: -143.697 bonds (distance) P-C4' energy: -156.467 flat angles C4'-P-C4' energy: -171.166 flat angles P-C4'-P energy: -104.206 tors. eta vs tors. theta energy: -233.311 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: 352 Temperature: 1.100000 Total energy: -2637.545829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.545829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.545829 (E_RNA) where: Base-Base interactions energy: -1905.335 where: short stacking energy: -761.323 Base-Backbone interact. energy: -6.031 local terms energy: -726.179726 where: bonds (distance) C4'-P energy: -125.627 bonds (distance) P-C4' energy: -143.762 flat angles C4'-P-C4' energy: -161.172 flat angles P-C4'-P energy: -105.624 tors. eta vs tors. theta energy: -189.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2477.151682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.151682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.151682 (E_RNA) where: Base-Base interactions energy: -1765.253 where: short stacking energy: -765.004 Base-Backbone interact. energy: -5.117 local terms energy: -706.781908 where: bonds (distance) C4'-P energy: -128.509 bonds (distance) P-C4' energy: -131.294 flat angles C4'-P-C4' energy: -164.988 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -201.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2388.647144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.647144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.647144 (E_RNA) where: Base-Base interactions energy: -1685.040 where: short stacking energy: -722.235 Base-Backbone interact. energy: -0.906 local terms energy: -702.700620 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -133.630 flat angles C4'-P-C4' energy: -171.141 flat angles P-C4'-P energy: -104.796 tors. eta vs tors. theta energy: -178.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -2149.314934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.314934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.314934 (E_RNA) where: Base-Base interactions energy: -1459.059 where: short stacking energy: -631.305 Base-Backbone interact. energy: -0.214 local terms energy: -690.042109 where: bonds (distance) C4'-P energy: -131.625 bonds (distance) P-C4' energy: -142.241 flat angles C4'-P-C4' energy: -148.833 flat angles P-C4'-P energy: -96.477 tors. eta vs tors. theta energy: -170.865 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: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1771.423475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.423475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.423475 (E_RNA) where: Base-Base interactions energy: -1215.641 where: short stacking energy: -510.301 Base-Backbone interact. energy: -1.190 local terms energy: -554.591967 where: bonds (distance) C4'-P energy: -132.917 bonds (distance) P-C4' energy: -116.416 flat angles C4'-P-C4' energy: -124.080 flat angles P-C4'-P energy: -94.569 tors. eta vs tors. theta energy: -86.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1556.992238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.992238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.992238 (E_RNA) where: Base-Base interactions energy: -1020.353 where: short stacking energy: -469.698 Base-Backbone interact. energy: -0.171 local terms energy: -536.468740 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -111.032 flat angles C4'-P-C4' energy: -128.161 flat angles P-C4'-P energy: -83.101 tors. eta vs tors. theta energy: -99.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3059.617812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.617812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.617812 (E_RNA) where: Base-Base interactions energy: -2178.258 where: short stacking energy: -897.353 Base-Backbone interact. energy: -4.423 local terms energy: -876.937227 where: bonds (distance) C4'-P energy: -167.289 bonds (distance) P-C4' energy: -168.882 flat angles C4'-P-C4' energy: -177.247 flat angles P-C4'-P energy: -126.151 tors. eta vs tors. theta energy: -237.368 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: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2937.266020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.266020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.266020 (E_RNA) where: Base-Base interactions energy: -2079.574 where: short stacking energy: -874.000 Base-Backbone interact. energy: -3.106 local terms energy: -854.586512 where: bonds (distance) C4'-P energy: -151.181 bonds (distance) P-C4' energy: -160.046 flat angles C4'-P-C4' energy: -174.019 flat angles P-C4'-P energy: -117.100 tors. eta vs tors. theta energy: -252.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2812.690079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.690079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.690079 (E_RNA) where: Base-Base interactions energy: -1983.086 where: short stacking energy: -843.909 Base-Backbone interact. energy: -4.009 local terms energy: -825.595078 where: bonds (distance) C4'-P energy: -145.323 bonds (distance) P-C4' energy: -151.698 flat angles C4'-P-C4' energy: -190.472 flat angles P-C4'-P energy: -118.397 tors. eta vs tors. theta energy: -219.706 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: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2723.259624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.259624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.259624 (E_RNA) where: Base-Base interactions energy: -1910.834 where: short stacking energy: -770.848 Base-Backbone interact. energy: -6.210 local terms energy: -806.215480 where: bonds (distance) C4'-P energy: -151.571 bonds (distance) P-C4' energy: -163.397 flat angles C4'-P-C4' energy: -174.103 flat angles P-C4'-P energy: -116.689 tors. eta vs tors. theta energy: -200.456 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: 353 Temperature: 1.100000 Total energy: -2636.574779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.574779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.574779 (E_RNA) where: Base-Base interactions energy: -1826.827 where: short stacking energy: -802.920 Base-Backbone interact. energy: -1.937 local terms energy: -807.810824 where: bonds (distance) C4'-P energy: -143.135 bonds (distance) P-C4' energy: -157.350 flat angles C4'-P-C4' energy: -160.523 flat angles P-C4'-P energy: -118.742 tors. eta vs tors. theta energy: -228.061 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: 6, replica: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2512.766353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.766353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.766353 (E_RNA) where: Base-Base interactions energy: -1788.770 where: short stacking energy: -772.272 Base-Backbone interact. energy: 2.530 local terms energy: -726.525723 where: bonds (distance) C4'-P energy: -135.335 bonds (distance) P-C4' energy: -136.779 flat angles C4'-P-C4' energy: -159.400 flat angles P-C4'-P energy: -100.846 tors. eta vs tors. theta energy: -194.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2268.167931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.167931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.167931 (E_RNA) where: Base-Base interactions energy: -1604.069 where: short stacking energy: -663.877 Base-Backbone interact. energy: -3.385 local terms energy: -660.713858 where: bonds (distance) C4'-P energy: -121.101 bonds (distance) P-C4' energy: -143.226 flat angles C4'-P-C4' energy: -155.740 flat angles P-C4'-P energy: -88.188 tors. eta vs tors. theta energy: -152.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -2156.298328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.298328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.298328 (E_RNA) where: Base-Base interactions energy: -1488.055 where: short stacking energy: -633.515 Base-Backbone interact. energy: -2.968 local terms energy: -665.275120 where: bonds (distance) C4'-P energy: -124.332 bonds (distance) P-C4' energy: -133.340 flat angles C4'-P-C4' energy: -135.560 flat angles P-C4'-P energy: -99.867 tors. eta vs tors. theta energy: -172.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1791.052598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.052598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.052598 (E_RNA) where: Base-Base interactions energy: -1252.123 where: short stacking energy: -534.190 Base-Backbone interact. energy: -0.348 local terms energy: -538.581408 where: bonds (distance) C4'-P energy: -117.607 bonds (distance) P-C4' energy: -127.603 flat angles C4'-P-C4' energy: -154.176 flat angles P-C4'-P energy: -59.766 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: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1600.397979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.397979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.397979 (E_RNA) where: Base-Base interactions energy: -1038.196 where: short stacking energy: -488.142 Base-Backbone interact. energy: -1.265 local terms energy: -560.936216 where: bonds (distance) C4'-P energy: -118.788 bonds (distance) P-C4' energy: -127.106 flat angles C4'-P-C4' energy: -133.193 flat angles P-C4'-P energy: -84.109 tors. eta vs tors. theta energy: -97.740 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: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3032.368651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.368651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.368651 (E_RNA) where: Base-Base interactions energy: -2173.227 where: short stacking energy: -911.417 Base-Backbone interact. energy: 0.428 local terms energy: -859.569625 where: bonds (distance) C4'-P energy: -148.914 bonds (distance) P-C4' energy: -154.509 flat angles C4'-P-C4' energy: -180.097 flat angles P-C4'-P energy: -137.239 tors. eta vs tors. theta energy: -238.811 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: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2974.640788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.640788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.640788 (E_RNA) where: Base-Base interactions energy: -2114.990 where: short stacking energy: -897.607 Base-Backbone interact. energy: -3.448 local terms energy: -856.202387 where: bonds (distance) C4'-P energy: -155.372 bonds (distance) P-C4' energy: -157.121 flat angles C4'-P-C4' energy: -184.056 flat angles P-C4'-P energy: -115.730 tors. eta vs tors. theta energy: -243.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2796.654323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.654323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.654323 (E_RNA) where: Base-Base interactions energy: -1999.736 where: short stacking energy: -841.109 Base-Backbone interact. energy: -4.048 local terms energy: -792.871009 where: bonds (distance) C4'-P energy: -130.043 bonds (distance) P-C4' energy: -147.777 flat angles C4'-P-C4' energy: -177.429 flat angles P-C4'-P energy: -112.495 tors. eta vs tors. theta energy: -225.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2686.014999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.014999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.014999 (E_RNA) where: Base-Base interactions energy: -1913.201 where: short stacking energy: -801.121 Base-Backbone interact. energy: 0.911 local terms energy: -773.725344 where: bonds (distance) C4'-P energy: -148.767 bonds (distance) P-C4' energy: -146.966 flat angles C4'-P-C4' energy: -163.575 flat angles P-C4'-P energy: -103.970 tors. eta vs tors. theta energy: -210.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2595.538356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.538356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.538356 (E_RNA) where: Base-Base interactions energy: -1822.153 where: short stacking energy: -796.615 Base-Backbone interact. energy: -2.398 local terms energy: -770.986959 where: bonds (distance) C4'-P energy: -138.766 bonds (distance) P-C4' energy: -133.771 flat angles C4'-P-C4' energy: -173.476 flat angles P-C4'-P energy: -108.144 tors. eta vs tors. theta energy: -216.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2501.035337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.035337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.035337 (E_RNA) where: Base-Base interactions energy: -1759.967 where: short stacking energy: -742.659 Base-Backbone interact. energy: -3.566 local terms energy: -737.502891 where: bonds (distance) C4'-P energy: -134.640 bonds (distance) P-C4' energy: -144.961 flat angles C4'-P-C4' energy: -165.585 flat angles P-C4'-P energy: -105.802 tors. eta vs tors. theta energy: -186.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2281.596922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.596922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.596922 (E_RNA) where: Base-Base interactions energy: -1620.371 where: short stacking energy: -673.037 Base-Backbone interact. energy: -6.225 local terms energy: -655.000792 where: bonds (distance) C4'-P energy: -122.215 bonds (distance) P-C4' energy: -132.915 flat angles C4'-P-C4' energy: -155.417 flat angles P-C4'-P energy: -87.732 tors. eta vs tors. theta energy: -156.722 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: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -2104.642646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.642646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.642646 (E_RNA) where: Base-Base interactions energy: -1453.034 where: short stacking energy: -629.753 Base-Backbone interact. energy: -3.660 local terms energy: -647.948775 where: bonds (distance) C4'-P energy: -126.043 bonds (distance) P-C4' energy: -127.257 flat angles C4'-P-C4' energy: -144.305 flat angles P-C4'-P energy: -96.224 tors. eta vs tors. theta energy: -154.120 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: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1802.061221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.061221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.061221 (E_RNA) where: Base-Base interactions energy: -1253.997 where: short stacking energy: -555.078 Base-Backbone interact. energy: -3.901 local terms energy: -544.162973 where: bonds (distance) C4'-P energy: -132.778 bonds (distance) P-C4' energy: -129.766 flat angles C4'-P-C4' energy: -117.805 flat angles P-C4'-P energy: -72.557 tors. eta vs tors. theta energy: -91.257 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: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1603.245615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.245615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.245615 (E_RNA) where: Base-Base interactions energy: -1099.246 where: short stacking energy: -519.678 Base-Backbone interact. energy: 0.046 local terms energy: -504.045427 where: bonds (distance) C4'-P energy: -124.956 bonds (distance) P-C4' energy: -112.856 flat angles C4'-P-C4' energy: -113.164 flat angles P-C4'-P energy: -63.527 tors. eta vs tors. theta energy: -89.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3049.166054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.166054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.166054 (E_RNA) where: Base-Base interactions energy: -2198.609 where: short stacking energy: -902.530 Base-Backbone interact. energy: -3.277 local terms energy: -847.279683 where: bonds (distance) C4'-P energy: -147.905 bonds (distance) P-C4' energy: -156.292 flat angles C4'-P-C4' energy: -184.469 flat angles P-C4'-P energy: -126.286 tors. eta vs tors. theta energy: -232.328 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: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2941.419325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.419325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.419325 (E_RNA) where: Base-Base interactions energy: -2078.578 where: short stacking energy: -885.263 Base-Backbone interact. energy: -2.667 local terms energy: -860.174579 where: bonds (distance) C4'-P energy: -144.777 bonds (distance) P-C4' energy: -160.890 flat angles C4'-P-C4' energy: -188.791 flat angles P-C4'-P energy: -114.681 tors. eta vs tors. theta energy: -251.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2843.067696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.067696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.067696 (E_RNA) where: Base-Base interactions energy: -2035.985 where: short stacking energy: -839.667 Base-Backbone interact. energy: -2.471 local terms energy: -804.611006 where: bonds (distance) C4'-P energy: -134.974 bonds (distance) P-C4' energy: -141.306 flat angles C4'-P-C4' energy: -176.608 flat angles P-C4'-P energy: -116.072 tors. eta vs tors. theta energy: -235.650 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: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2723.983400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.983400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.983400 (E_RNA) where: Base-Base interactions energy: -1946.615 where: short stacking energy: -772.600 Base-Backbone interact. energy: -5.395 local terms energy: -771.973087 where: bonds (distance) C4'-P energy: -162.948 bonds (distance) P-C4' energy: -155.503 flat angles C4'-P-C4' energy: -170.282 flat angles P-C4'-P energy: -92.488 tors. eta vs tors. theta energy: -190.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2606.298997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.298997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.298997 (E_RNA) where: Base-Base interactions energy: -1815.088 where: short stacking energy: -799.739 Base-Backbone interact. energy: -1.774 local terms energy: -789.436561 where: bonds (distance) C4'-P energy: -141.381 bonds (distance) P-C4' energy: -154.052 flat angles C4'-P-C4' energy: -162.316 flat angles P-C4'-P energy: -103.436 tors. eta vs tors. theta energy: -228.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2531.458649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.458649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.458649 (E_RNA) where: Base-Base interactions energy: -1786.848 where: short stacking energy: -758.323 Base-Backbone interact. energy: -2.137 local terms energy: -742.474465 where: bonds (distance) C4'-P energy: -135.748 bonds (distance) P-C4' energy: -132.302 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -115.431 tors. eta vs tors. theta energy: -202.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2293.959407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.959407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.959407 (E_RNA) where: Base-Base interactions energy: -1623.346 where: short stacking energy: -646.404 Base-Backbone interact. energy: -3.008 local terms energy: -667.605106 where: bonds (distance) C4'-P energy: -134.788 bonds (distance) P-C4' energy: -128.032 flat angles C4'-P-C4' energy: -148.274 flat angles P-C4'-P energy: -104.437 tors. eta vs tors. theta energy: -152.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -2104.088212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.088212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.088212 (E_RNA) where: Base-Base interactions energy: -1458.881 where: short stacking energy: -626.521 Base-Backbone interact. energy: 6.323 local terms energy: -651.530423 where: bonds (distance) C4'-P energy: -120.106 bonds (distance) P-C4' energy: -121.698 flat angles C4'-P-C4' energy: -160.449 flat angles P-C4'-P energy: -88.470 tors. eta vs tors. theta energy: -160.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1720.253075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.253075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.253075 (E_RNA) where: Base-Base interactions energy: -1178.045 where: short stacking energy: -550.975 Base-Backbone interact. energy: 0.835 local terms energy: -543.043196 where: bonds (distance) C4'-P energy: -111.854 bonds (distance) P-C4' energy: -125.002 flat angles C4'-P-C4' energy: -118.633 flat angles P-C4'-P energy: -75.261 tors. eta vs tors. theta energy: -112.294 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: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1572.106972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.106972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.106972 (E_RNA) where: Base-Base interactions energy: -1052.573 where: short stacking energy: -460.777 Base-Backbone interact. energy: 3.772 local terms energy: -523.306419 where: bonds (distance) C4'-P energy: -113.125 bonds (distance) P-C4' energy: -116.100 flat angles C4'-P-C4' energy: -139.532 flat angles P-C4'-P energy: -84.667 tors. eta vs tors. theta energy: -69.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3029.266572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.266572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.266572 (E_RNA) where: Base-Base interactions energy: -2190.221 where: short stacking energy: -906.523 Base-Backbone interact. energy: -6.743 local terms energy: -832.303197 where: bonds (distance) C4'-P energy: -144.654 bonds (distance) P-C4' energy: -149.735 flat angles C4'-P-C4' energy: -184.035 flat angles P-C4'-P energy: -121.508 tors. eta vs tors. theta energy: -232.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2984.533102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.533102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.533102 (E_RNA) where: Base-Base interactions energy: -2115.185 where: short stacking energy: -863.665 Base-Backbone interact. energy: -3.576 local terms energy: -865.771880 where: bonds (distance) C4'-P energy: -156.095 bonds (distance) P-C4' energy: -139.920 flat angles C4'-P-C4' energy: -193.085 flat angles P-C4'-P energy: -125.379 tors. eta vs tors. theta energy: -251.293 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: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2814.954762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.954762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.954762 (E_RNA) where: Base-Base interactions energy: -2004.489 where: short stacking energy: -866.307 Base-Backbone interact. energy: -7.023 local terms energy: -803.443528 where: bonds (distance) C4'-P energy: -145.082 bonds (distance) P-C4' energy: -151.787 flat angles C4'-P-C4' energy: -172.523 flat angles P-C4'-P energy: -122.231 tors. eta vs tors. theta energy: -211.821 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: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2689.511303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.511303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.511303 (E_RNA) where: Base-Base interactions energy: -1914.178 where: short stacking energy: -773.077 Base-Backbone interact. energy: -7.464 local terms energy: -767.868871 where: bonds (distance) C4'-P energy: -146.656 bonds (distance) P-C4' energy: -151.973 flat angles C4'-P-C4' energy: -176.003 flat angles P-C4'-P energy: -109.706 tors. eta vs tors. theta energy: -183.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2623.206561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.206561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.206561 (E_RNA) where: Base-Base interactions energy: -1806.520 where: short stacking energy: -776.160 Base-Backbone interact. energy: -1.958 local terms energy: -814.729149 where: bonds (distance) C4'-P energy: -148.781 bonds (distance) P-C4' energy: -151.364 flat angles C4'-P-C4' energy: -169.594 flat angles P-C4'-P energy: -107.529 tors. eta vs tors. theta energy: -237.461 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: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2551.385483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.385483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.385483 (E_RNA) where: Base-Base interactions energy: -1825.235 where: short stacking energy: -727.582 Base-Backbone interact. energy: -5.017 local terms energy: -721.134062 where: bonds (distance) C4'-P energy: -118.255 bonds (distance) P-C4' energy: -137.877 flat angles C4'-P-C4' energy: -175.101 flat angles P-C4'-P energy: -99.587 tors. eta vs tors. theta energy: -190.314 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: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2310.979594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.979594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.979594 (E_RNA) where: Base-Base interactions energy: -1643.715 where: short stacking energy: -660.775 Base-Backbone interact. energy: -4.970 local terms energy: -662.294501 where: bonds (distance) C4'-P energy: -118.237 bonds (distance) P-C4' energy: -127.880 flat angles C4'-P-C4' energy: -157.350 flat angles P-C4'-P energy: -100.603 tors. eta vs tors. theta energy: -158.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -2112.868661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.868661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.868661 (E_RNA) where: Base-Base interactions energy: -1471.741 where: short stacking energy: -607.136 Base-Backbone interact. energy: -1.718 local terms energy: -639.410286 where: bonds (distance) C4'-P energy: -110.649 bonds (distance) P-C4' energy: -134.800 flat angles C4'-P-C4' energy: -145.487 flat angles P-C4'-P energy: -103.836 tors. eta vs tors. theta energy: -144.638 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: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1584.142173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.142173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.142173 (E_RNA) where: Base-Base interactions energy: -1053.235 where: short stacking energy: -462.675 Base-Backbone interact. energy: 1.992 local terms energy: -532.898876 where: bonds (distance) C4'-P energy: -118.667 bonds (distance) P-C4' energy: -128.746 flat angles C4'-P-C4' energy: -141.492 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -77.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1550.809774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.809774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.809774 (E_RNA) where: Base-Base interactions energy: -1079.315 where: short stacking energy: -475.438 Base-Backbone interact. energy: 4.090 local terms energy: -475.585070 where: bonds (distance) C4'-P energy: -108.449 bonds (distance) P-C4' energy: -124.593 flat angles C4'-P-C4' energy: -116.176 flat angles P-C4'-P energy: -69.608 tors. eta vs tors. theta energy: -56.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3075.149936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.149936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.149936 (E_RNA) where: Base-Base interactions energy: -2205.876 where: short stacking energy: -922.059 Base-Backbone interact. energy: -6.172 local terms energy: -863.101990 where: bonds (distance) C4'-P energy: -153.772 bonds (distance) P-C4' energy: -157.820 flat angles C4'-P-C4' energy: -192.847 flat angles P-C4'-P energy: -117.016 tors. eta vs tors. theta energy: -241.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2941.406327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.406327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.406327 (E_RNA) where: Base-Base interactions energy: -2088.799 where: short stacking energy: -877.619 Base-Backbone interact. energy: -4.953 local terms energy: -847.654473 where: bonds (distance) C4'-P energy: -136.396 bonds (distance) P-C4' energy: -161.358 flat angles C4'-P-C4' energy: -183.790 flat angles P-C4'-P energy: -130.962 tors. eta vs tors. theta energy: -235.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2829.423157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.423157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.423157 (E_RNA) where: Base-Base interactions energy: -2006.519 where: short stacking energy: -843.003 Base-Backbone interact. energy: -2.450 local terms energy: -820.454024 where: bonds (distance) C4'-P energy: -151.611 bonds (distance) P-C4' energy: -152.479 flat angles C4'-P-C4' energy: -177.975 flat angles P-C4'-P energy: -121.681 tors. eta vs tors. theta energy: -216.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2702.632008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.632008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.632008 (E_RNA) where: Base-Base interactions energy: -1914.674 where: short stacking energy: -786.257 Base-Backbone interact. energy: -3.308 local terms energy: -784.649957 where: bonds (distance) C4'-P energy: -152.254 bonds (distance) P-C4' energy: -154.763 flat angles C4'-P-C4' energy: -168.171 flat angles P-C4'-P energy: -107.846 tors. eta vs tors. theta energy: -201.616 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: 357 Temperature: 1.100000 Total energy: -2655.647904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.647904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.647904 (E_RNA) where: Base-Base interactions energy: -1905.383 where: short stacking energy: -806.955 Base-Backbone interact. energy: -3.348 local terms energy: -746.916886 where: bonds (distance) C4'-P energy: -124.048 bonds (distance) P-C4' energy: -150.030 flat angles C4'-P-C4' energy: -162.160 flat angles P-C4'-P energy: -91.550 tors. eta vs tors. theta energy: -219.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2541.799245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.799245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.799245 (E_RNA) where: Base-Base interactions energy: -1786.988 where: short stacking energy: -728.521 Base-Backbone interact. energy: -2.579 local terms energy: -752.232789 where: bonds (distance) C4'-P energy: -141.128 bonds (distance) P-C4' energy: -136.279 flat angles C4'-P-C4' energy: -163.638 flat angles P-C4'-P energy: -107.992 tors. eta vs tors. theta energy: -203.197 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: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2292.610588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.610588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.610588 (E_RNA) where: Base-Base interactions energy: -1627.719 where: short stacking energy: -669.356 Base-Backbone interact. energy: 4.403 local terms energy: -669.294565 where: bonds (distance) C4'-P energy: -144.284 bonds (distance) P-C4' energy: -124.631 flat angles C4'-P-C4' energy: -151.758 flat angles P-C4'-P energy: -88.083 tors. eta vs tors. theta energy: -160.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -2151.293309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.293309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.293309 (E_RNA) where: Base-Base interactions energy: -1516.130 where: short stacking energy: -648.871 Base-Backbone interact. energy: 0.554 local terms energy: -635.717910 where: bonds (distance) C4'-P energy: -120.714 bonds (distance) P-C4' energy: -143.259 flat angles C4'-P-C4' energy: -143.283 flat angles P-C4'-P energy: -72.919 tors. eta vs tors. theta energy: -155.542 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: 8 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1746.394397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.394397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.394397 (E_RNA) where: Base-Base interactions energy: -1187.675 where: short stacking energy: -520.748 Base-Backbone interact. energy: -1.833 local terms energy: -556.886405 where: bonds (distance) C4'-P energy: -122.893 bonds (distance) P-C4' energy: -115.788 flat angles C4'-P-C4' energy: -144.215 flat angles P-C4'-P energy: -70.874 tors. eta vs tors. theta energy: -103.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1615.412367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.412367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.412367 (E_RNA) where: Base-Base interactions energy: -1086.393 where: short stacking energy: -471.689 Base-Backbone interact. energy: -1.392 local terms energy: -527.626951 where: bonds (distance) C4'-P energy: -127.506 bonds (distance) P-C4' energy: -103.556 flat angles C4'-P-C4' energy: -132.959 flat angles P-C4'-P energy: -87.344 tors. eta vs tors. theta energy: -76.261 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: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3049.385603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.385603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.385603 (E_RNA) where: Base-Base interactions energy: -2177.494 where: short stacking energy: -883.660 Base-Backbone interact. energy: -4.326 local terms energy: -867.565333 where: bonds (distance) C4'-P energy: -159.112 bonds (distance) P-C4' energy: -167.114 flat angles C4'-P-C4' energy: -184.798 flat angles P-C4'-P energy: -113.262 tors. eta vs tors. theta energy: -243.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2938.694786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.694786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.694786 (E_RNA) where: Base-Base interactions energy: -2092.445 where: short stacking energy: -879.017 Base-Backbone interact. energy: -5.798 local terms energy: -840.451645 where: bonds (distance) C4'-P energy: -137.478 bonds (distance) P-C4' energy: -167.776 flat angles C4'-P-C4' energy: -169.880 flat angles P-C4'-P energy: -118.870 tors. eta vs tors. theta energy: -246.447 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: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2817.959174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.959174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.959174 (E_RNA) where: Base-Base interactions energy: -1995.868 where: short stacking energy: -843.530 Base-Backbone interact. energy: -1.014 local terms energy: -821.076743 where: bonds (distance) C4'-P energy: -146.474 bonds (distance) P-C4' energy: -158.113 flat angles C4'-P-C4' energy: -166.023 flat angles P-C4'-P energy: -129.163 tors. eta vs tors. theta energy: -221.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2693.112413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.112413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.112413 (E_RNA) where: Base-Base interactions energy: -1919.916 where: short stacking energy: -787.679 Base-Backbone interact. energy: -4.887 local terms energy: -768.309291 where: bonds (distance) C4'-P energy: -143.829 bonds (distance) P-C4' energy: -165.273 flat angles C4'-P-C4' energy: -162.934 flat angles P-C4'-P energy: -83.318 tors. eta vs tors. theta energy: -212.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2622.630474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.630474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.630474 (E_RNA) where: Base-Base interactions energy: -1870.471 where: short stacking energy: -789.489 Base-Backbone interact. energy: -3.008 local terms energy: -749.151021 where: bonds (distance) C4'-P energy: -134.695 bonds (distance) P-C4' energy: -119.229 flat angles C4'-P-C4' energy: -156.592 flat angles P-C4'-P energy: -119.807 tors. eta vs tors. theta energy: -218.829 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: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2513.183092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.183092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.183092 (E_RNA) where: Base-Base interactions energy: -1785.020 where: short stacking energy: -752.654 Base-Backbone interact. energy: -3.230 local terms energy: -724.933055 where: bonds (distance) C4'-P energy: -134.199 bonds (distance) P-C4' energy: -129.390 flat angles C4'-P-C4' energy: -163.089 flat angles P-C4'-P energy: -98.291 tors. eta vs tors. theta energy: -199.964 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: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2323.627807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.627807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.627807 (E_RNA) where: Base-Base interactions energy: -1646.235 where: short stacking energy: -700.033 Base-Backbone interact. energy: 0.390 local terms energy: -677.782637 where: bonds (distance) C4'-P energy: -126.250 bonds (distance) P-C4' energy: -142.739 flat angles C4'-P-C4' energy: -145.222 flat angles P-C4'-P energy: -92.572 tors. eta vs tors. theta energy: -170.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -2155.800763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.800763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.800763 (E_RNA) where: Base-Base interactions energy: -1485.940 where: short stacking energy: -643.068 Base-Backbone interact. energy: -2.321 local terms energy: -667.540355 where: bonds (distance) C4'-P energy: -133.554 bonds (distance) P-C4' energy: -143.068 flat angles C4'-P-C4' energy: -150.684 flat angles P-C4'-P energy: -88.655 tors. eta vs tors. theta energy: -151.579 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: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1710.056957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.056957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.056957 (E_RNA) where: Base-Base interactions energy: -1167.385 where: short stacking energy: -501.123 Base-Backbone interact. energy: -2.728 local terms energy: -539.943409 where: bonds (distance) C4'-P energy: -106.239 bonds (distance) P-C4' energy: -142.731 flat angles C4'-P-C4' energy: -121.726 flat angles P-C4'-P energy: -67.607 tors. eta vs tors. theta energy: -101.641 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: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1436.837776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.837776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.837776 (E_RNA) where: Base-Base interactions energy: -929.206 where: short stacking energy: -379.421 Base-Backbone interact. energy: -6.496 local terms energy: -501.135656 where: bonds (distance) C4'-P energy: -128.325 bonds (distance) P-C4' energy: -145.423 flat angles C4'-P-C4' energy: -115.195 flat angles P-C4'-P energy: -75.539 tors. eta vs tors. theta energy: -36.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3061.501503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.501503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.501503 (E_RNA) where: Base-Base interactions energy: -2205.751 where: short stacking energy: -902.359 Base-Backbone interact. energy: -8.281 local terms energy: -847.469878 where: bonds (distance) C4'-P energy: -151.937 bonds (distance) P-C4' energy: -148.399 flat angles C4'-P-C4' energy: -181.562 flat angles P-C4'-P energy: -130.914 tors. eta vs tors. theta energy: -234.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2944.949430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.949430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.949430 (E_RNA) where: Base-Base interactions energy: -2123.515 where: short stacking energy: -892.421 Base-Backbone interact. energy: -4.187 local terms energy: -817.246676 where: bonds (distance) C4'-P energy: -133.635 bonds (distance) P-C4' energy: -131.896 flat angles C4'-P-C4' energy: -175.980 flat angles P-C4'-P energy: -123.666 tors. eta vs tors. theta energy: -252.070 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: 3, replica: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2846.294313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.294313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.294313 (E_RNA) where: Base-Base interactions energy: -1998.382 where: short stacking energy: -841.600 Base-Backbone interact. energy: -5.010 local terms energy: -842.902530 where: bonds (distance) C4'-P energy: -150.136 bonds (distance) P-C4' energy: -153.577 flat angles C4'-P-C4' energy: -180.648 flat angles P-C4'-P energy: -130.936 tors. eta vs tors. theta energy: -227.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2719.850288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.850288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.850288 (E_RNA) where: Base-Base interactions energy: -1927.602 where: short stacking energy: -793.781 Base-Backbone interact. energy: -7.490 local terms energy: -784.758477 where: bonds (distance) C4'-P energy: -144.051 bonds (distance) P-C4' energy: -161.285 flat angles C4'-P-C4' energy: -155.336 flat angles P-C4'-P energy: -118.613 tors. eta vs tors. theta energy: -205.474 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: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2658.060966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.060966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.060966 (E_RNA) where: Base-Base interactions energy: -1872.877 where: short stacking energy: -812.033 Base-Backbone interact. energy: -2.613 local terms energy: -782.571037 where: bonds (distance) C4'-P energy: -122.644 bonds (distance) P-C4' energy: -159.067 flat angles C4'-P-C4' energy: -158.493 flat angles P-C4'-P energy: -109.126 tors. eta vs tors. theta energy: -233.241 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: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2547.365259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.365259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.365259 (E_RNA) where: Base-Base interactions energy: -1814.134 where: short stacking energy: -737.539 Base-Backbone interact. energy: -2.413 local terms energy: -730.818318 where: bonds (distance) C4'-P energy: -139.815 bonds (distance) P-C4' energy: -149.851 flat angles C4'-P-C4' energy: -147.073 flat angles P-C4'-P energy: -91.176 tors. eta vs tors. theta energy: -202.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2322.506222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.506222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.506222 (E_RNA) where: Base-Base interactions energy: -1628.101 where: short stacking energy: -698.784 Base-Backbone interact. energy: -0.267 local terms energy: -694.137371 where: bonds (distance) C4'-P energy: -150.675 bonds (distance) P-C4' energy: -130.747 flat angles C4'-P-C4' energy: -141.119 flat angles P-C4'-P energy: -82.775 tors. eta vs tors. theta energy: -188.821 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: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -2150.096991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.096991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.096991 (E_RNA) where: Base-Base interactions energy: -1497.252 where: short stacking energy: -633.700 Base-Backbone interact. energy: -1.124 local terms energy: -651.720784 where: bonds (distance) C4'-P energy: -113.810 bonds (distance) P-C4' energy: -138.274 flat angles C4'-P-C4' energy: -153.255 flat angles P-C4'-P energy: -98.372 tors. eta vs tors. theta energy: -148.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1661.765005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.765005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.765005 (E_RNA) where: Base-Base interactions energy: -1130.524 where: short stacking energy: -481.722 Base-Backbone interact. energy: 0.253 local terms energy: -531.493368 where: bonds (distance) C4'-P energy: -109.739 bonds (distance) P-C4' energy: -111.259 flat angles C4'-P-C4' energy: -145.376 flat angles P-C4'-P energy: -80.817 tors. eta vs tors. theta energy: -84.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1521.649148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.649148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.649148 (E_RNA) where: Base-Base interactions energy: -973.916 where: short stacking energy: -449.801 Base-Backbone interact. energy: -0.983 local terms energy: -546.749970 where: bonds (distance) C4'-P energy: -118.847 bonds (distance) P-C4' energy: -146.795 flat angles C4'-P-C4' energy: -128.904 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -75.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3069.150891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.150891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.150891 (E_RNA) where: Base-Base interactions energy: -2207.961 where: short stacking energy: -902.289 Base-Backbone interact. energy: -5.980 local terms energy: -855.209877 where: bonds (distance) C4'-P energy: -162.777 bonds (distance) P-C4' energy: -152.900 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -126.159 tors. eta vs tors. theta energy: -232.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2936.313797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.313797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.313797 (E_RNA) where: Base-Base interactions energy: -2099.811 where: short stacking energy: -878.705 Base-Backbone interact. energy: -4.117 local terms energy: -832.385571 where: bonds (distance) C4'-P energy: -155.503 bonds (distance) P-C4' energy: -153.115 flat angles C4'-P-C4' energy: -168.143 flat angles P-C4'-P energy: -117.562 tors. eta vs tors. theta energy: -238.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2830.101293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.101293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.101293 (E_RNA) where: Base-Base interactions energy: -2020.559 where: short stacking energy: -852.960 Base-Backbone interact. energy: -1.771 local terms energy: -807.770689 where: bonds (distance) C4'-P energy: -149.026 bonds (distance) P-C4' energy: -142.586 flat angles C4'-P-C4' energy: -171.924 flat angles P-C4'-P energy: -117.466 tors. eta vs tors. theta energy: -226.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2718.653303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.653303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.653303 (E_RNA) where: Base-Base interactions energy: -1933.977 where: short stacking energy: -778.916 Base-Backbone interact. energy: -3.805 local terms energy: -780.870909 where: bonds (distance) C4'-P energy: -155.825 bonds (distance) P-C4' energy: -129.683 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -112.456 tors. eta vs tors. theta energy: -213.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2644.220942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.220942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.220942 (E_RNA) where: Base-Base interactions energy: -1894.042 where: short stacking energy: -810.603 Base-Backbone interact. energy: -5.709 local terms energy: -744.470056 where: bonds (distance) C4'-P energy: -116.675 bonds (distance) P-C4' energy: -153.320 flat angles C4'-P-C4' energy: -162.366 flat angles P-C4'-P energy: -110.823 tors. eta vs tors. theta energy: -201.286 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: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2522.414756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.414756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.414756 (E_RNA) where: Base-Base interactions energy: -1772.513 where: short stacking energy: -766.223 Base-Backbone interact. energy: -2.369 local terms energy: -747.532302 where: bonds (distance) C4'-P energy: -134.330 bonds (distance) P-C4' energy: -138.273 flat angles C4'-P-C4' energy: -162.240 flat angles P-C4'-P energy: -104.768 tors. eta vs tors. theta energy: -207.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2307.289744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.289744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.289744 (E_RNA) where: Base-Base interactions energy: -1644.997 where: short stacking energy: -686.104 Base-Backbone interact. energy: -0.252 local terms energy: -662.039877 where: bonds (distance) C4'-P energy: -124.214 bonds (distance) P-C4' energy: -126.808 flat angles C4'-P-C4' energy: -155.168 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -165.071 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: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -2167.337505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.337505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.337505 (E_RNA) where: Base-Base interactions energy: -1488.660 where: short stacking energy: -667.897 Base-Backbone interact. energy: 0.148 local terms energy: -678.826145 where: bonds (distance) C4'-P energy: -131.687 bonds (distance) P-C4' energy: -126.448 flat angles C4'-P-C4' energy: -150.474 flat angles P-C4'-P energy: -93.707 tors. eta vs tors. theta energy: -176.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1723.310163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.310163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.310163 (E_RNA) where: Base-Base interactions energy: -1134.953 where: short stacking energy: -508.985 Base-Backbone interact. energy: 6.697 local terms energy: -595.054047 where: bonds (distance) C4'-P energy: -136.895 bonds (distance) P-C4' energy: -137.427 flat angles C4'-P-C4' energy: -146.451 flat angles P-C4'-P energy: -65.323 tors. eta vs tors. theta energy: -108.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1417.795909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.795909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.795909 (E_RNA) where: Base-Base interactions energy: -929.928 where: short stacking energy: -419.734 Base-Backbone interact. energy: 2.951 local terms energy: -490.818588 where: bonds (distance) C4'-P energy: -120.983 bonds (distance) P-C4' energy: -111.193 flat angles C4'-P-C4' energy: -125.284 flat angles P-C4'-P energy: -66.896 tors. eta vs tors. theta energy: -66.463 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: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3091.166094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.166094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.166094 (E_RNA) where: Base-Base interactions energy: -2204.493 where: short stacking energy: -918.261 Base-Backbone interact. energy: -7.530 local terms energy: -879.143303 where: bonds (distance) C4'-P energy: -164.948 bonds (distance) P-C4' energy: -159.722 flat angles C4'-P-C4' energy: -181.543 flat angles P-C4'-P energy: -133.355 tors. eta vs tors. theta energy: -239.575 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: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2933.940683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.940683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.940683 (E_RNA) where: Base-Base interactions energy: -2078.240 where: short stacking energy: -911.381 Base-Backbone interact. energy: -3.550 local terms energy: -852.149975 where: bonds (distance) C4'-P energy: -163.633 bonds (distance) P-C4' energy: -141.374 flat angles C4'-P-C4' energy: -179.103 flat angles P-C4'-P energy: -117.310 tors. eta vs tors. theta energy: -250.729 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: 1 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2830.957569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.957569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.957569 (E_RNA) where: Base-Base interactions energy: -2014.271 where: short stacking energy: -869.034 Base-Backbone interact. energy: -0.643 local terms energy: -816.044254 where: bonds (distance) C4'-P energy: -151.976 bonds (distance) P-C4' energy: -149.796 flat angles C4'-P-C4' energy: -170.022 flat angles P-C4'-P energy: -119.951 tors. eta vs tors. theta energy: -224.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2716.531550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.531550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.531550 (E_RNA) where: Base-Base interactions energy: -1940.011 where: short stacking energy: -802.934 Base-Backbone interact. energy: -1.698 local terms energy: -774.822270 where: bonds (distance) C4'-P energy: -140.375 bonds (distance) P-C4' energy: -137.223 flat angles C4'-P-C4' energy: -177.729 flat angles P-C4'-P energy: -110.151 tors. eta vs tors. theta energy: -209.345 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: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2584.258922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.258922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.258922 (E_RNA) where: Base-Base interactions energy: -1829.850 where: short stacking energy: -773.083 Base-Backbone interact. energy: -0.494 local terms energy: -753.914458 where: bonds (distance) C4'-P energy: -128.809 bonds (distance) P-C4' energy: -164.984 flat angles C4'-P-C4' energy: -146.680 flat angles P-C4'-P energy: -122.034 tors. eta vs tors. theta energy: -191.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2519.283473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.283473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.283473 (E_RNA) where: Base-Base interactions energy: -1755.848 where: short stacking energy: -782.882 Base-Backbone interact. energy: -2.635 local terms energy: -760.800672 where: bonds (distance) C4'-P energy: -121.557 bonds (distance) P-C4' energy: -140.377 flat angles C4'-P-C4' energy: -160.773 flat angles P-C4'-P energy: -115.269 tors. eta vs tors. theta energy: -222.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2284.759654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.759654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.759654 (E_RNA) where: Base-Base interactions energy: -1593.888 where: short stacking energy: -671.844 Base-Backbone interact. energy: 1.257 local terms energy: -692.128385 where: bonds (distance) C4'-P energy: -135.891 bonds (distance) P-C4' energy: -143.590 flat angles C4'-P-C4' energy: -146.906 flat angles P-C4'-P energy: -98.316 tors. eta vs tors. theta energy: -167.425 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: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -2252.902205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.902205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.902205 (E_RNA) where: Base-Base interactions energy: -1581.013 where: short stacking energy: -683.777 Base-Backbone interact. energy: 3.574 local terms energy: -675.463598 where: bonds (distance) C4'-P energy: -125.150 bonds (distance) P-C4' energy: -132.575 flat angles C4'-P-C4' energy: -147.621 flat angles P-C4'-P energy: -100.677 tors. eta vs tors. theta energy: -169.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1755.436998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.436998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.436998 (E_RNA) where: Base-Base interactions energy: -1177.069 where: short stacking energy: -530.261 Base-Backbone interact. energy: -2.616 local terms energy: -575.752309 where: bonds (distance) C4'-P energy: -144.909 bonds (distance) P-C4' energy: -129.112 flat angles C4'-P-C4' energy: -118.314 flat angles P-C4'-P energy: -77.244 tors. eta vs tors. theta energy: -106.174 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: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1440.821935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.821935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.821935 (E_RNA) where: Base-Base interactions energy: -926.222 where: short stacking energy: -394.629 Base-Backbone interact. energy: -0.758 local terms energy: -513.841344 where: bonds (distance) C4'-P energy: -112.976 bonds (distance) P-C4' energy: -146.589 flat angles C4'-P-C4' energy: -117.589 flat angles P-C4'-P energy: -76.992 tors. eta vs tors. theta energy: -59.695 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: 362 Temperature: 0.900000 Total energy: -3051.257541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.257541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.257541 (E_RNA) where: Base-Base interactions energy: -2196.120 where: short stacking energy: -902.991 Base-Backbone interact. energy: -8.274 local terms energy: -846.863975 where: bonds (distance) C4'-P energy: -141.896 bonds (distance) P-C4' energy: -158.113 flat angles C4'-P-C4' energy: -186.759 flat angles P-C4'-P energy: -123.897 tors. eta vs tors. theta energy: -236.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2945.148288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.148288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.148288 (E_RNA) where: Base-Base interactions energy: -2093.264 where: short stacking energy: -908.590 Base-Backbone interact. energy: -1.753 local terms energy: -850.131753 where: bonds (distance) C4'-P energy: -140.536 bonds (distance) P-C4' energy: -164.384 flat angles C4'-P-C4' energy: -183.289 flat angles P-C4'-P energy: -113.900 tors. eta vs tors. theta energy: -248.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2814.768959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.768959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.768959 (E_RNA) where: Base-Base interactions energy: -1993.705 where: short stacking energy: -867.547 Base-Backbone interact. energy: 3.223 local terms energy: -824.287604 where: bonds (distance) C4'-P energy: -145.956 bonds (distance) P-C4' energy: -156.444 flat angles C4'-P-C4' energy: -174.949 flat angles P-C4'-P energy: -121.612 tors. eta vs tors. theta energy: -225.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2758.761644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.761644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.761644 (E_RNA) where: Base-Base interactions energy: -1964.441 where: short stacking energy: -802.221 Base-Backbone interact. energy: -4.422 local terms energy: -789.897983 where: bonds (distance) C4'-P energy: -132.887 bonds (distance) P-C4' energy: -146.579 flat angles C4'-P-C4' energy: -170.559 flat angles P-C4'-P energy: -113.725 tors. eta vs tors. theta energy: -226.148 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: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2589.594098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.594098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.594098 (E_RNA) where: Base-Base interactions energy: -1828.109 where: short stacking energy: -797.195 Base-Backbone interact. energy: -5.038 local terms energy: -756.446795 where: bonds (distance) C4'-P energy: -138.142 bonds (distance) P-C4' energy: -139.348 flat angles C4'-P-C4' energy: -163.380 flat angles P-C4'-P energy: -110.155 tors. eta vs tors. theta energy: -205.422 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: 362 Temperature: 1.150000 Total energy: -2509.413517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.413517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.413517 (E_RNA) where: Base-Base interactions energy: -1769.876 where: short stacking energy: -789.502 Base-Backbone interact. energy: -2.771 local terms energy: -736.766632 where: bonds (distance) C4'-P energy: -118.382 bonds (distance) P-C4' energy: -131.013 flat angles C4'-P-C4' energy: -168.120 flat angles P-C4'-P energy: -106.518 tors. eta vs tors. theta energy: -212.733 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: 362 Temperature: 1.200000 Total energy: -2358.989768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.989768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.989768 (E_RNA) where: Base-Base interactions energy: -1677.619 where: short stacking energy: -708.057 Base-Backbone interact. energy: -1.512 local terms energy: -679.858471 where: bonds (distance) C4'-P energy: -132.718 bonds (distance) P-C4' energy: -148.973 flat angles C4'-P-C4' energy: -138.326 flat angles P-C4'-P energy: -82.077 tors. eta vs tors. theta energy: -177.766 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: 8, replica: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -2253.879782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.879782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.879782 (E_RNA) where: Base-Base interactions energy: -1567.451 where: short stacking energy: -660.607 Base-Backbone interact. energy: -1.154 local terms energy: -685.274597 where: bonds (distance) C4'-P energy: -133.922 bonds (distance) P-C4' energy: -144.320 flat angles C4'-P-C4' energy: -142.085 flat angles P-C4'-P energy: -94.328 tors. eta vs tors. theta energy: -170.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1709.830736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.830736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.830736 (E_RNA) where: Base-Base interactions energy: -1146.547 where: short stacking energy: -508.824 Base-Backbone interact. energy: 1.155 local terms energy: -564.439113 where: bonds (distance) C4'-P energy: -151.616 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -127.628 flat angles P-C4'-P energy: -77.790 tors. eta vs tors. theta energy: -82.147 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: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1338.068391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.068391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.068391 (E_RNA) where: Base-Base interactions energy: -851.398 where: short stacking energy: -385.641 Base-Backbone interact. energy: -1.314 local terms energy: -485.355852 where: bonds (distance) C4'-P energy: -125.248 bonds (distance) P-C4' energy: -121.856 flat angles C4'-P-C4' energy: -139.668 flat angles P-C4'-P energy: -57.274 tors. eta vs tors. theta energy: -41.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3088.251651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.251651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.251651 (E_RNA) where: Base-Base interactions energy: -2212.390 where: short stacking energy: -902.272 Base-Backbone interact. energy: -7.523 local terms energy: -868.338203 where: bonds (distance) C4'-P energy: -154.303 bonds (distance) P-C4' energy: -156.524 flat angles C4'-P-C4' energy: -191.799 flat angles P-C4'-P energy: -127.628 tors. eta vs tors. theta energy: -238.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2956.600576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.600576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.600576 (E_RNA) where: Base-Base interactions energy: -2103.631 where: short stacking energy: -894.693 Base-Backbone interact. energy: -5.905 local terms energy: -847.064699 where: bonds (distance) C4'-P energy: -156.155 bonds (distance) P-C4' energy: -156.631 flat angles C4'-P-C4' energy: -181.585 flat angles P-C4'-P energy: -117.618 tors. eta vs tors. theta energy: -235.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2824.195433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.195433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.195433 (E_RNA) where: Base-Base interactions energy: -2025.857 where: short stacking energy: -852.679 Base-Backbone interact. energy: -3.376 local terms energy: -794.963140 where: bonds (distance) C4'-P energy: -136.852 bonds (distance) P-C4' energy: -145.607 flat angles C4'-P-C4' energy: -175.510 flat angles P-C4'-P energy: -107.943 tors. eta vs tors. theta energy: -229.052 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: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2766.911181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.911181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.911181 (E_RNA) where: Base-Base interactions energy: -1943.517 where: short stacking energy: -799.442 Base-Backbone interact. energy: -3.921 local terms energy: -819.473566 where: bonds (distance) C4'-P energy: -153.046 bonds (distance) P-C4' energy: -163.633 flat angles C4'-P-C4' energy: -170.239 flat angles P-C4'-P energy: -121.667 tors. eta vs tors. theta energy: -210.888 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: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2615.121080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.121080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.121080 (E_RNA) where: Base-Base interactions energy: -1838.927 where: short stacking energy: -793.864 Base-Backbone interact. energy: -0.243 local terms energy: -775.950199 where: bonds (distance) C4'-P energy: -124.890 bonds (distance) P-C4' energy: -149.119 flat angles C4'-P-C4' energy: -169.695 flat angles P-C4'-P energy: -119.652 tors. eta vs tors. theta energy: -212.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2460.958317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.958317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.958317 (E_RNA) where: Base-Base interactions energy: -1707.019 where: short stacking energy: -766.761 Base-Backbone interact. energy: -2.026 local terms energy: -751.913473 where: bonds (distance) C4'-P energy: -136.019 bonds (distance) P-C4' energy: -141.466 flat angles C4'-P-C4' energy: -168.743 flat angles P-C4'-P energy: -103.640 tors. eta vs tors. theta energy: -202.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2319.558302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.558302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.558302 (E_RNA) where: Base-Base interactions energy: -1654.189 where: short stacking energy: -691.315 Base-Backbone interact. energy: 1.694 local terms energy: -667.062914 where: bonds (distance) C4'-P energy: -134.617 bonds (distance) P-C4' energy: -138.086 flat angles C4'-P-C4' energy: -147.185 flat angles P-C4'-P energy: -90.901 tors. eta vs tors. theta energy: -156.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2250.134973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.134973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.134973 (E_RNA) where: Base-Base interactions energy: -1560.843 where: short stacking energy: -660.460 Base-Backbone interact. energy: -1.703 local terms energy: -687.588752 where: bonds (distance) C4'-P energy: -122.570 bonds (distance) P-C4' energy: -153.978 flat angles C4'-P-C4' energy: -151.956 flat angles P-C4'-P energy: -91.648 tors. eta vs tors. theta energy: -167.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1744.961268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.961268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.961268 (E_RNA) where: Base-Base interactions energy: -1164.226 where: short stacking energy: -501.717 Base-Backbone interact. energy: -0.330 local terms energy: -580.405276 where: bonds (distance) C4'-P energy: -145.636 bonds (distance) P-C4' energy: -137.425 flat angles C4'-P-C4' energy: -147.721 flat angles P-C4'-P energy: -70.469 tors. eta vs tors. theta energy: -79.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1339.396609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.396609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.396609 (E_RNA) where: Base-Base interactions energy: -867.739 where: short stacking energy: -410.274 Base-Backbone interact. energy: 2.630 local terms energy: -474.287732 where: bonds (distance) C4'-P energy: -99.334 bonds (distance) P-C4' energy: -114.549 flat angles C4'-P-C4' energy: -119.799 flat angles P-C4'-P energy: -84.779 tors. eta vs tors. theta energy: -55.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3038.402176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.402176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.402176 (E_RNA) where: Base-Base interactions energy: -2204.671 where: short stacking energy: -912.249 Base-Backbone interact. energy: -4.765 local terms energy: -828.966194 where: bonds (distance) C4'-P energy: -141.209 bonds (distance) P-C4' energy: -159.505 flat angles C4'-P-C4' energy: -173.843 flat angles P-C4'-P energy: -120.117 tors. eta vs tors. theta energy: -234.292 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: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2960.092489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.092489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.092489 (E_RNA) where: Base-Base interactions energy: -2094.184 where: short stacking energy: -873.418 Base-Backbone interact. energy: -0.917 local terms energy: -864.991611 where: bonds (distance) C4'-P energy: -153.092 bonds (distance) P-C4' energy: -156.961 flat angles C4'-P-C4' energy: -186.490 flat angles P-C4'-P energy: -125.408 tors. eta vs tors. theta energy: -243.042 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: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2813.491002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.491002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.491002 (E_RNA) where: Base-Base interactions energy: -2006.071 where: short stacking energy: -844.536 Base-Backbone interact. energy: -3.574 local terms energy: -803.846619 where: bonds (distance) C4'-P energy: -155.457 bonds (distance) P-C4' energy: -149.612 flat angles C4'-P-C4' energy: -169.160 flat angles P-C4'-P energy: -105.274 tors. eta vs tors. theta energy: -224.344 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: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2757.657310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.657310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.657310 (E_RNA) where: Base-Base interactions energy: -1973.207 where: short stacking energy: -805.756 Base-Backbone interact. energy: -7.396 local terms energy: -777.054134 where: bonds (distance) C4'-P energy: -132.352 bonds (distance) P-C4' energy: -131.057 flat angles C4'-P-C4' energy: -174.522 flat angles P-C4'-P energy: -118.944 tors. eta vs tors. theta energy: -220.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2583.872025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.872025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.872025 (E_RNA) where: Base-Base interactions energy: -1865.152 where: short stacking energy: -807.629 Base-Backbone interact. energy: 1.807 local terms energy: -720.526798 where: bonds (distance) C4'-P energy: -124.640 bonds (distance) P-C4' energy: -144.443 flat angles C4'-P-C4' energy: -151.006 flat angles P-C4'-P energy: -98.422 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: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2500.827203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.827203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.827203 (E_RNA) where: Base-Base interactions energy: -1718.038 where: short stacking energy: -759.697 Base-Backbone interact. energy: -1.340 local terms energy: -781.449659 where: bonds (distance) C4'-P energy: -147.137 bonds (distance) P-C4' energy: -151.422 flat angles C4'-P-C4' energy: -160.752 flat angles P-C4'-P energy: -110.492 tors. eta vs tors. theta energy: -211.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2363.368649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.368649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.368649 (E_RNA) where: Base-Base interactions energy: -1657.238 where: short stacking energy: -712.917 Base-Backbone interact. energy: -2.584 local terms energy: -703.546130 where: bonds (distance) C4'-P energy: -132.098 bonds (distance) P-C4' energy: -125.600 flat angles C4'-P-C4' energy: -161.535 flat angles P-C4'-P energy: -95.664 tors. eta vs tors. theta energy: -188.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -2189.862741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.862741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.862741 (E_RNA) where: Base-Base interactions energy: -1534.889 where: short stacking energy: -659.099 Base-Backbone interact. energy: 1.234 local terms energy: -656.207925 where: bonds (distance) C4'-P energy: -135.697 bonds (distance) P-C4' energy: -113.092 flat angles C4'-P-C4' energy: -156.972 flat angles P-C4'-P energy: -78.563 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: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1732.578633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.578633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.578633 (E_RNA) where: Base-Base interactions energy: -1159.308 where: short stacking energy: -534.699 Base-Backbone interact. energy: -0.460 local terms energy: -572.810423 where: bonds (distance) C4'-P energy: -126.451 bonds (distance) P-C4' energy: -127.733 flat angles C4'-P-C4' energy: -149.260 flat angles P-C4'-P energy: -65.092 tors. eta vs tors. theta energy: -104.274 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: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1361.960917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.960917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.960917 (E_RNA) where: Base-Base interactions energy: -892.786 where: short stacking energy: -421.443 Base-Backbone interact. energy: 5.280 local terms energy: -474.455096 where: bonds (distance) C4'-P energy: -109.747 bonds (distance) P-C4' energy: -122.808 flat angles C4'-P-C4' energy: -126.232 flat angles P-C4'-P energy: -64.054 tors. eta vs tors. theta energy: -51.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3055.624303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.624303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.624303 (E_RNA) where: Base-Base interactions energy: -2211.949 where: short stacking energy: -904.971 Base-Backbone interact. energy: -2.342 local terms energy: -841.333325 where: bonds (distance) C4'-P energy: -162.455 bonds (distance) P-C4' energy: -159.394 flat angles C4'-P-C4' energy: -181.066 flat angles P-C4'-P energy: -111.002 tors. eta vs tors. theta energy: -227.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2965.736545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.736545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.736545 (E_RNA) where: Base-Base interactions energy: -2103.892 where: short stacking energy: -875.010 Base-Backbone interact. energy: 3.119 local terms energy: -864.963542 where: bonds (distance) C4'-P energy: -143.772 bonds (distance) P-C4' energy: -160.358 flat angles C4'-P-C4' energy: -178.116 flat angles P-C4'-P energy: -129.394 tors. eta vs tors. theta energy: -253.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2814.662321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.662321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.662321 (E_RNA) where: Base-Base interactions energy: -1990.604 where: short stacking energy: -848.514 Base-Backbone interact. energy: 1.508 local terms energy: -825.566194 where: bonds (distance) C4'-P energy: -141.652 bonds (distance) P-C4' energy: -161.972 flat angles C4'-P-C4' energy: -180.473 flat angles P-C4'-P energy: -119.869 tors. eta vs tors. theta energy: -221.601 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: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2753.638536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.638536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.638536 (E_RNA) where: Base-Base interactions energy: -1942.522 where: short stacking energy: -832.824 Base-Backbone interact. energy: -4.930 local terms energy: -806.186403 where: bonds (distance) C4'-P energy: -130.397 bonds (distance) P-C4' energy: -150.704 flat angles C4'-P-C4' energy: -183.162 flat angles P-C4'-P energy: -128.234 tors. eta vs tors. theta energy: -213.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2590.501647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.501647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.501647 (E_RNA) where: Base-Base interactions energy: -1829.586 where: short stacking energy: -777.316 Base-Backbone interact. energy: -5.137 local terms energy: -755.777796 where: bonds (distance) C4'-P energy: -145.088 bonds (distance) P-C4' energy: -152.343 flat angles C4'-P-C4' energy: -157.131 flat angles P-C4'-P energy: -108.195 tors. eta vs tors. theta energy: -193.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2494.060450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.060450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.060450 (E_RNA) where: Base-Base interactions energy: -1787.487 where: short stacking energy: -732.018 Base-Backbone interact. energy: -1.004 local terms energy: -705.569523 where: bonds (distance) C4'-P energy: -116.822 bonds (distance) P-C4' energy: -145.448 flat angles C4'-P-C4' energy: -157.210 flat angles P-C4'-P energy: -89.283 tors. eta vs tors. theta energy: -196.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2338.213924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.213924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.213924 (E_RNA) where: Base-Base interactions energy: -1684.712 where: short stacking energy: -709.495 Base-Backbone interact. energy: -3.418 local terms energy: -650.084437 where: bonds (distance) C4'-P energy: -130.717 bonds (distance) P-C4' energy: -110.992 flat angles C4'-P-C4' energy: -156.809 flat angles P-C4'-P energy: -81.476 tors. eta vs tors. theta energy: -170.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -2179.013970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.013970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.013970 (E_RNA) where: Base-Base interactions energy: -1504.686 where: short stacking energy: -668.828 Base-Backbone interact. energy: -2.599 local terms energy: -671.729645 where: bonds (distance) C4'-P energy: -105.970 bonds (distance) P-C4' energy: -149.690 flat angles C4'-P-C4' energy: -162.447 flat angles P-C4'-P energy: -86.283 tors. eta vs tors. theta energy: -167.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1760.173640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.173640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.173640 (E_RNA) where: Base-Base interactions energy: -1169.570 where: short stacking energy: -510.093 Base-Backbone interact. energy: 1.576 local terms energy: -592.179473 where: bonds (distance) C4'-P energy: -133.057 bonds (distance) P-C4' energy: -143.879 flat angles C4'-P-C4' energy: -129.603 flat angles P-C4'-P energy: -84.631 tors. eta vs tors. theta energy: -101.010 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: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1254.888561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.888561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.888561 (E_RNA) where: Base-Base interactions energy: -764.768 where: short stacking energy: -348.870 Base-Backbone interact. energy: -3.010 local terms energy: -487.110529 where: bonds (distance) C4'-P energy: -129.115 bonds (distance) P-C4' energy: -122.158 flat angles C4'-P-C4' energy: -111.687 flat angles P-C4'-P energy: -76.018 tors. eta vs tors. theta energy: -48.133 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: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3047.166474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.166474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.166474 (E_RNA) where: Base-Base interactions energy: -2219.897 where: short stacking energy: -901.132 Base-Backbone interact. energy: -4.516 local terms energy: -822.754030 where: bonds (distance) C4'-P energy: -156.833 bonds (distance) P-C4' energy: -147.700 flat angles C4'-P-C4' energy: -173.669 flat angles P-C4'-P energy: -117.162 tors. eta vs tors. theta energy: -227.390 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: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2971.332681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.332681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.332681 (E_RNA) where: Base-Base interactions energy: -2092.059 where: short stacking energy: -882.591 Base-Backbone interact. energy: -3.922 local terms energy: -875.351853 where: bonds (distance) C4'-P energy: -166.382 bonds (distance) P-C4' energy: -155.552 flat angles C4'-P-C4' energy: -175.259 flat angles P-C4'-P energy: -127.957 tors. eta vs tors. theta energy: -250.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2842.052616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.052616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.052616 (E_RNA) where: Base-Base interactions energy: -2034.406 where: short stacking energy: -864.758 Base-Backbone interact. energy: -7.073 local terms energy: -800.573856 where: bonds (distance) C4'-P energy: -136.698 bonds (distance) P-C4' energy: -151.595 flat angles C4'-P-C4' energy: -181.642 flat angles P-C4'-P energy: -111.864 tors. eta vs tors. theta energy: -218.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2779.400798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.400798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.400798 (E_RNA) where: Base-Base interactions energy: -1994.673 where: short stacking energy: -808.333 Base-Backbone interact. energy: -7.359 local terms energy: -777.369082 where: bonds (distance) C4'-P energy: -151.442 bonds (distance) P-C4' energy: -128.524 flat angles C4'-P-C4' energy: -180.765 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -213.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2575.620976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.620976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.620976 (E_RNA) where: Base-Base interactions energy: -1828.738 where: short stacking energy: -786.013 Base-Backbone interact. energy: -0.949 local terms energy: -745.934446 where: bonds (distance) C4'-P energy: -133.438 bonds (distance) P-C4' energy: -141.943 flat angles C4'-P-C4' energy: -163.657 flat angles P-C4'-P energy: -107.876 tors. eta vs tors. theta energy: -199.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2507.157599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.157599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.157599 (E_RNA) where: Base-Base interactions energy: -1745.027 where: short stacking energy: -766.148 Base-Backbone interact. energy: -3.940 local terms energy: -758.190586 where: bonds (distance) C4'-P energy: -136.986 bonds (distance) P-C4' energy: -137.634 flat angles C4'-P-C4' energy: -173.450 flat angles P-C4'-P energy: -105.327 tors. eta vs tors. theta energy: -204.793 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: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2327.786635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.786635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.786635 (E_RNA) where: Base-Base interactions energy: -1641.455 where: short stacking energy: -684.482 Base-Backbone interact. energy: -2.025 local terms energy: -684.306405 where: bonds (distance) C4'-P energy: -116.071 bonds (distance) P-C4' energy: -128.609 flat angles C4'-P-C4' energy: -156.795 flat angles P-C4'-P energy: -107.486 tors. eta vs tors. theta energy: -175.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -2181.797812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.797812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.797812 (E_RNA) where: Base-Base interactions energy: -1507.118 where: short stacking energy: -646.754 Base-Backbone interact. energy: -3.030 local terms energy: -671.649422 where: bonds (distance) C4'-P energy: -118.277 bonds (distance) P-C4' energy: -138.997 flat angles C4'-P-C4' energy: -150.274 flat angles P-C4'-P energy: -105.720 tors. eta vs tors. theta energy: -158.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1821.281087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.281087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.281087 (E_RNA) where: Base-Base interactions energy: -1230.370 where: short stacking energy: -561.066 Base-Backbone interact. energy: 1.743 local terms energy: -592.653933 where: bonds (distance) C4'-P energy: -123.644 bonds (distance) P-C4' energy: -126.422 flat angles C4'-P-C4' energy: -145.440 flat angles P-C4'-P energy: -79.437 tors. eta vs tors. theta energy: -117.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1353.511799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.511799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.511799 (E_RNA) where: Base-Base interactions energy: -903.089 where: short stacking energy: -377.402 Base-Backbone interact. energy: 6.434 local terms energy: -456.856964 where: bonds (distance) C4'-P energy: -105.640 bonds (distance) P-C4' energy: -114.402 flat angles C4'-P-C4' energy: -108.732 flat angles P-C4'-P energy: -81.765 tors. eta vs tors. theta energy: -46.318 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: 367 Temperature: 0.900000 Total energy: -3062.245054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.245054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.245054 (E_RNA) where: Base-Base interactions energy: -2205.369 where: short stacking energy: -920.825 Base-Backbone interact. energy: -5.599 local terms energy: -851.277254 where: bonds (distance) C4'-P energy: -159.253 bonds (distance) P-C4' energy: -153.554 flat angles C4'-P-C4' energy: -184.741 flat angles P-C4'-P energy: -119.703 tors. eta vs tors. theta energy: -234.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2969.410781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.410781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.410781 (E_RNA) where: Base-Base interactions energy: -2096.113 where: short stacking energy: -867.143 Base-Backbone interact. energy: -5.050 local terms energy: -868.247984 where: bonds (distance) C4'-P energy: -151.476 bonds (distance) P-C4' energy: -169.839 flat angles C4'-P-C4' energy: -175.737 flat angles P-C4'-P energy: -127.111 tors. eta vs tors. theta energy: -244.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2829.298553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.298553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.298553 (E_RNA) where: Base-Base interactions energy: -2000.947 where: short stacking energy: -878.350 Base-Backbone interact. energy: -4.153 local terms energy: -824.198710 where: bonds (distance) C4'-P energy: -140.386 bonds (distance) P-C4' energy: -156.304 flat angles C4'-P-C4' energy: -174.882 flat angles P-C4'-P energy: -118.290 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: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2743.298179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.298179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.298179 (E_RNA) where: Base-Base interactions energy: -1978.374 where: short stacking energy: -806.527 Base-Backbone interact. energy: -2.262 local terms energy: -762.661439 where: bonds (distance) C4'-P energy: -146.635 bonds (distance) P-C4' energy: -124.540 flat angles C4'-P-C4' energy: -171.176 flat angles P-C4'-P energy: -119.527 tors. eta vs tors. theta energy: -200.782 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: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2647.851399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.851399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.851399 (E_RNA) where: Base-Base interactions energy: -1877.883 where: short stacking energy: -803.832 Base-Backbone interact. energy: 4.751 local terms energy: -774.719781 where: bonds (distance) C4'-P energy: -152.822 bonds (distance) P-C4' energy: -144.110 flat angles C4'-P-C4' energy: -165.116 flat angles P-C4'-P energy: -110.733 tors. eta vs tors. theta energy: -201.939 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: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2516.114708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.114708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.114708 (E_RNA) where: Base-Base interactions energy: -1761.142 where: short stacking energy: -753.564 Base-Backbone interact. energy: -0.804 local terms energy: -754.168566 where: bonds (distance) C4'-P energy: -134.553 bonds (distance) P-C4' energy: -154.048 flat angles C4'-P-C4' energy: -164.158 flat angles P-C4'-P energy: -107.263 tors. eta vs tors. theta energy: -194.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2375.830462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.830462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.830462 (E_RNA) where: Base-Base interactions energy: -1697.970 where: short stacking energy: -723.020 Base-Backbone interact. energy: -1.797 local terms energy: -676.063967 where: bonds (distance) C4'-P energy: -120.192 bonds (distance) P-C4' energy: -144.751 flat angles C4'-P-C4' energy: -150.673 flat angles P-C4'-P energy: -83.463 tors. eta vs tors. theta energy: -176.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -2206.286856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.286856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.286856 (E_RNA) where: Base-Base interactions energy: -1520.628 where: short stacking energy: -686.198 Base-Backbone interact. energy: -6.544 local terms energy: -679.114679 where: bonds (distance) C4'-P energy: -114.860 bonds (distance) P-C4' energy: -135.358 flat angles C4'-P-C4' energy: -144.534 flat angles P-C4'-P energy: -113.465 tors. eta vs tors. theta energy: -170.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1794.443653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.443653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.443653 (E_RNA) where: Base-Base interactions energy: -1225.440 where: short stacking energy: -566.835 Base-Backbone interact. energy: 2.693 local terms energy: -571.696868 where: bonds (distance) C4'-P energy: -118.200 bonds (distance) P-C4' energy: -133.396 flat angles C4'-P-C4' energy: -137.609 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -117.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1373.498594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.498594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.498594 (E_RNA) where: Base-Base interactions energy: -892.399 where: short stacking energy: -426.176 Base-Backbone interact. energy: -0.882 local terms energy: -480.217369 where: bonds (distance) C4'-P energy: -120.118 bonds (distance) P-C4' energy: -132.424 flat angles C4'-P-C4' energy: -103.046 flat angles P-C4'-P energy: -64.273 tors. eta vs tors. theta energy: -60.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3004.773047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.773047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.773047 (E_RNA) where: Base-Base interactions energy: -2136.809 where: short stacking energy: -895.589 Base-Backbone interact. energy: -3.340 local terms energy: -864.623888 where: bonds (distance) C4'-P energy: -162.264 bonds (distance) P-C4' energy: -150.588 flat angles C4'-P-C4' energy: -175.867 flat angles P-C4'-P energy: -133.605 tors. eta vs tors. theta energy: -242.299 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: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -3009.974537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.974537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.974537 (E_RNA) where: Base-Base interactions energy: -2179.552 where: short stacking energy: -900.923 Base-Backbone interact. energy: -3.597 local terms energy: -826.824820 where: bonds (distance) C4'-P energy: -157.491 bonds (distance) P-C4' energy: -143.178 flat angles C4'-P-C4' energy: -175.038 flat angles P-C4'-P energy: -121.408 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: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2806.905769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.905769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.905769 (E_RNA) where: Base-Base interactions energy: -2002.291 where: short stacking energy: -827.257 Base-Backbone interact. energy: -7.928 local terms energy: -796.686936 where: bonds (distance) C4'-P energy: -152.345 bonds (distance) P-C4' energy: -148.440 flat angles C4'-P-C4' energy: -173.067 flat angles P-C4'-P energy: -110.037 tors. eta vs tors. theta energy: -212.798 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: 1 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2785.865461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.865461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.865461 (E_RNA) where: Base-Base interactions energy: -1974.362 where: short stacking energy: -842.945 Base-Backbone interact. energy: -6.397 local terms energy: -805.106997 where: bonds (distance) C4'-P energy: -139.460 bonds (distance) P-C4' energy: -147.016 flat angles C4'-P-C4' energy: -180.262 flat angles P-C4'-P energy: -113.775 tors. eta vs tors. theta energy: -224.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2642.842712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.842712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.842712 (E_RNA) where: Base-Base interactions energy: -1903.226 where: short stacking energy: -792.112 Base-Backbone interact. energy: -4.721 local terms energy: -734.896180 where: bonds (distance) C4'-P energy: -134.689 bonds (distance) P-C4' energy: -125.725 flat angles C4'-P-C4' energy: -169.811 flat angles P-C4'-P energy: -98.287 tors. eta vs tors. theta energy: -206.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2560.615642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.615642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.615642 (E_RNA) where: Base-Base interactions energy: -1798.968 where: short stacking energy: -794.397 Base-Backbone interact. energy: -0.492 local terms energy: -761.155517 where: bonds (distance) C4'-P energy: -137.426 bonds (distance) P-C4' energy: -132.632 flat angles C4'-P-C4' energy: -162.541 flat angles P-C4'-P energy: -111.553 tors. eta vs tors. theta energy: -217.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2359.736167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.736167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.736167 (E_RNA) where: Base-Base interactions energy: -1681.280 where: short stacking energy: -694.579 Base-Backbone interact. energy: -0.853 local terms energy: -677.602766 where: bonds (distance) C4'-P energy: -116.215 bonds (distance) P-C4' energy: -129.190 flat angles C4'-P-C4' energy: -156.834 flat angles P-C4'-P energy: -104.876 tors. eta vs tors. theta energy: -170.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -2169.070411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.070411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.070411 (E_RNA) where: Base-Base interactions energy: -1508.530 where: short stacking energy: -654.907 Base-Backbone interact. energy: -3.119 local terms energy: -657.421703 where: bonds (distance) C4'-P energy: -111.208 bonds (distance) P-C4' energy: -134.991 flat angles C4'-P-C4' energy: -152.391 flat angles P-C4'-P energy: -98.086 tors. eta vs tors. theta energy: -160.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1914.423604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.423604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.423604 (E_RNA) where: Base-Base interactions energy: -1303.776 where: short stacking energy: -572.857 Base-Backbone interact. energy: -1.692 local terms energy: -608.955092 where: bonds (distance) C4'-P energy: -130.693 bonds (distance) P-C4' energy: -115.459 flat angles C4'-P-C4' energy: -142.958 flat angles P-C4'-P energy: -91.529 tors. eta vs tors. theta energy: -128.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1308.323265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.323265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.323265 (E_RNA) where: Base-Base interactions energy: -826.364 where: short stacking energy: -407.241 Base-Backbone interact. energy: 3.859 local terms energy: -485.817973 where: bonds (distance) C4'-P energy: -120.901 bonds (distance) P-C4' energy: -132.211 flat angles C4'-P-C4' energy: -128.077 flat angles P-C4'-P energy: -69.571 tors. eta vs tors. theta energy: -35.057 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: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3010.491421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.491421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.491421 (E_RNA) where: Base-Base interactions energy: -2145.032 where: short stacking energy: -900.504 Base-Backbone interact. energy: -4.896 local terms energy: -860.563340 where: bonds (distance) C4'-P energy: -156.434 bonds (distance) P-C4' energy: -144.982 flat angles C4'-P-C4' energy: -187.579 flat angles P-C4'-P energy: -124.559 tors. eta vs tors. theta energy: -247.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2990.948396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.948396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.948396 (E_RNA) where: Base-Base interactions energy: -2131.840 where: short stacking energy: -871.900 Base-Backbone interact. energy: 0.966 local terms energy: -860.074195 where: bonds (distance) C4'-P energy: -168.165 bonds (distance) P-C4' energy: -161.003 flat angles C4'-P-C4' energy: -181.236 flat angles P-C4'-P energy: -112.671 tors. eta vs tors. theta energy: -236.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2855.612645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.612645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.612645 (E_RNA) where: Base-Base interactions energy: -2018.086 where: short stacking energy: -852.224 Base-Backbone interact. energy: -2.885 local terms energy: -834.641316 where: bonds (distance) C4'-P energy: -148.952 bonds (distance) P-C4' energy: -156.635 flat angles C4'-P-C4' energy: -189.769 flat angles P-C4'-P energy: -112.732 tors. eta vs tors. theta energy: -226.554 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: 369 Temperature: 1.050000 Total energy: -2762.198980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.198980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.198980 (E_RNA) where: Base-Base interactions energy: -1957.329 where: short stacking energy: -832.621 Base-Backbone interact. energy: -0.788 local terms energy: -804.082245 where: bonds (distance) C4'-P energy: -139.997 bonds (distance) P-C4' energy: -162.598 flat angles C4'-P-C4' energy: -174.289 flat angles P-C4'-P energy: -119.100 tors. eta vs tors. theta energy: -208.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2620.197600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.197600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.197600 (E_RNA) where: Base-Base interactions energy: -1863.294 where: short stacking energy: -779.110 Base-Backbone interact. energy: -3.016 local terms energy: -753.887386 where: bonds (distance) C4'-P energy: -136.835 bonds (distance) P-C4' energy: -140.943 flat angles C4'-P-C4' energy: -176.137 flat angles P-C4'-P energy: -106.234 tors. eta vs tors. theta energy: -193.738 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: 369 Temperature: 1.150000 Total energy: -2565.360063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.360063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.360063 (E_RNA) where: Base-Base interactions energy: -1819.906 where: short stacking energy: -767.024 Base-Backbone interact. energy: -1.398 local terms energy: -744.055804 where: bonds (distance) C4'-P energy: -129.013 bonds (distance) P-C4' energy: -140.237 flat angles C4'-P-C4' energy: -153.548 flat angles P-C4'-P energy: -110.128 tors. eta vs tors. theta energy: -211.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2382.497458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.497458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.497458 (E_RNA) where: Base-Base interactions energy: -1688.420 where: short stacking energy: -713.948 Base-Backbone interact. energy: -5.921 local terms energy: -688.155975 where: bonds (distance) C4'-P energy: -129.066 bonds (distance) P-C4' energy: -120.550 flat angles C4'-P-C4' energy: -143.719 flat angles P-C4'-P energy: -107.524 tors. eta vs tors. theta energy: -187.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -2151.860048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.860048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.860048 (E_RNA) where: Base-Base interactions energy: -1507.851 where: short stacking energy: -673.310 Base-Backbone interact. energy: -0.066 local terms energy: -643.943017 where: bonds (distance) C4'-P energy: -126.300 bonds (distance) P-C4' energy: -120.679 flat angles C4'-P-C4' energy: -143.061 flat angles P-C4'-P energy: -92.282 tors. eta vs tors. theta energy: -161.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1928.008416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.008416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.008416 (E_RNA) where: Base-Base interactions energy: -1307.893 where: short stacking energy: -526.024 Base-Backbone interact. energy: -0.483 local terms energy: -619.631918 where: bonds (distance) C4'-P energy: -125.266 bonds (distance) P-C4' energy: -131.625 flat angles C4'-P-C4' energy: -139.627 flat angles P-C4'-P energy: -94.605 tors. eta vs tors. theta energy: -128.509 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: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1332.934783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.934783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.934783 (E_RNA) where: Base-Base interactions energy: -882.020 where: short stacking energy: -386.679 Base-Backbone interact. energy: 2.122 local terms energy: -453.036878 where: bonds (distance) C4'-P energy: -122.478 bonds (distance) P-C4' energy: -114.791 flat angles C4'-P-C4' energy: -119.221 flat angles P-C4'-P energy: -50.403 tors. eta vs tors. theta energy: -46.143 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: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3030.162582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.162582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.162582 (E_RNA) where: Base-Base interactions energy: -2133.007 where: short stacking energy: -914.566 Base-Backbone interact. energy: -8.740 local terms energy: -888.415891 where: bonds (distance) C4'-P energy: -155.946 bonds (distance) P-C4' energy: -161.501 flat angles C4'-P-C4' energy: -189.729 flat angles P-C4'-P energy: -130.387 tors. eta vs tors. theta energy: -250.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2970.146790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.146790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.146790 (E_RNA) where: Base-Base interactions energy: -2140.257 where: short stacking energy: -854.370 Base-Backbone interact. energy: -6.229 local terms energy: -823.660776 where: bonds (distance) C4'-P energy: -162.055 bonds (distance) P-C4' energy: -154.811 flat angles C4'-P-C4' energy: -177.732 flat angles P-C4'-P energy: -110.867 tors. eta vs tors. theta energy: -218.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2860.076628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.076628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.076628 (E_RNA) where: Base-Base interactions energy: -2027.629 where: short stacking energy: -842.002 Base-Backbone interact. energy: -1.086 local terms energy: -831.361610 where: bonds (distance) C4'-P energy: -141.606 bonds (distance) P-C4' energy: -161.802 flat angles C4'-P-C4' energy: -178.280 flat angles P-C4'-P energy: -117.674 tors. eta vs tors. theta energy: -232.000 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: 4, replica: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2747.764953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.764953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.764953 (E_RNA) where: Base-Base interactions energy: -1936.633 where: short stacking energy: -835.850 Base-Backbone interact. energy: -2.244 local terms energy: -808.888056 where: bonds (distance) C4'-P energy: -130.687 bonds (distance) P-C4' energy: -165.499 flat angles C4'-P-C4' energy: -181.533 flat angles P-C4'-P energy: -115.279 tors. eta vs tors. theta energy: -215.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2618.767072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.767072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.767072 (E_RNA) where: Base-Base interactions energy: -1889.037 where: short stacking energy: -799.600 Base-Backbone interact. energy: -4.538 local terms energy: -725.191679 where: bonds (distance) C4'-P energy: -133.234 bonds (distance) P-C4' energy: -120.002 flat angles C4'-P-C4' energy: -150.298 flat angles P-C4'-P energy: -98.019 tors. eta vs tors. theta energy: -223.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2562.825880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.825880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.825880 (E_RNA) where: Base-Base interactions energy: -1814.497 where: short stacking energy: -755.084 Base-Backbone interact. energy: -0.751 local terms energy: -747.577420 where: bonds (distance) C4'-P energy: -134.080 bonds (distance) P-C4' energy: -139.113 flat angles C4'-P-C4' energy: -160.160 flat angles P-C4'-P energy: -116.456 tors. eta vs tors. theta energy: -197.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2412.202705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.202705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.202705 (E_RNA) where: Base-Base interactions energy: -1714.056 where: short stacking energy: -683.016 Base-Backbone interact. energy: -1.121 local terms energy: -697.025982 where: bonds (distance) C4'-P energy: -157.659 bonds (distance) P-C4' energy: -133.204 flat angles C4'-P-C4' energy: -152.341 flat angles P-C4'-P energy: -96.271 tors. eta vs tors. theta energy: -157.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -2150.438568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.438568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.438568 (E_RNA) where: Base-Base interactions energy: -1508.579 where: short stacking energy: -656.401 Base-Backbone interact. energy: -2.066 local terms energy: -639.793686 where: bonds (distance) C4'-P energy: -125.866 bonds (distance) P-C4' energy: -132.450 flat angles C4'-P-C4' energy: -146.955 flat angles P-C4'-P energy: -81.226 tors. eta vs tors. theta energy: -153.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1884.045146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.045146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.045146 (E_RNA) where: Base-Base interactions energy: -1286.673 where: short stacking energy: -567.587 Base-Backbone interact. energy: -2.600 local terms energy: -594.772022 where: bonds (distance) C4'-P energy: -127.624 bonds (distance) P-C4' energy: -129.205 flat angles C4'-P-C4' energy: -135.755 flat angles P-C4'-P energy: -87.414 tors. eta vs tors. theta energy: -114.773 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: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1329.469358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.469358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.469358 (E_RNA) where: Base-Base interactions energy: -840.497 where: short stacking energy: -348.111 Base-Backbone interact. energy: -2.510 local terms energy: -486.462569 where: bonds (distance) C4'-P energy: -137.799 bonds (distance) P-C4' energy: -113.193 flat angles C4'-P-C4' energy: -111.292 flat angles P-C4'-P energy: -78.308 tors. eta vs tors. theta energy: -45.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3032.693065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.693065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.693065 (E_RNA) where: Base-Base interactions energy: -2155.829 where: short stacking energy: -923.615 Base-Backbone interact. energy: -6.924 local terms energy: -869.940098 where: bonds (distance) C4'-P energy: -143.819 bonds (distance) P-C4' energy: -167.899 flat angles C4'-P-C4' energy: -192.193 flat angles P-C4'-P energy: -123.228 tors. eta vs tors. theta energy: -242.800 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: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -3038.724518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.724518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.724518 (E_RNA) where: Base-Base interactions energy: -2206.906 where: short stacking energy: -901.836 Base-Backbone interact. energy: -5.465 local terms energy: -826.353624 where: bonds (distance) C4'-P energy: -142.289 bonds (distance) P-C4' energy: -149.998 flat angles C4'-P-C4' energy: -178.748 flat angles P-C4'-P energy: -125.858 tors. eta vs tors. theta energy: -229.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2832.507345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.507345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.507345 (E_RNA) where: Base-Base interactions energy: -1995.238 where: short stacking energy: -817.275 Base-Backbone interact. energy: -2.044 local terms energy: -835.225194 where: bonds (distance) C4'-P energy: -162.862 bonds (distance) P-C4' energy: -159.583 flat angles C4'-P-C4' energy: -170.246 flat angles P-C4'-P energy: -120.887 tors. eta vs tors. theta energy: -221.648 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: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2735.495480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.495480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.495480 (E_RNA) where: Base-Base interactions energy: -1952.427 where: short stacking energy: -833.914 Base-Backbone interact. energy: 4.194 local terms energy: -787.263057 where: bonds (distance) C4'-P energy: -146.015 bonds (distance) P-C4' energy: -139.526 flat angles C4'-P-C4' energy: -179.584 flat angles P-C4'-P energy: -102.936 tors. eta vs tors. theta energy: -219.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2642.668057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.668057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.668057 (E_RNA) where: Base-Base interactions energy: -1881.212 where: short stacking energy: -777.924 Base-Backbone interact. energy: 0.285 local terms energy: -761.741595 where: bonds (distance) C4'-P energy: -126.127 bonds (distance) P-C4' energy: -130.259 flat angles C4'-P-C4' energy: -174.879 flat angles P-C4'-P energy: -107.214 tors. eta vs tors. theta energy: -223.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2524.052889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.052889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.052889 (E_RNA) where: Base-Base interactions energy: -1804.952 where: short stacking energy: -754.291 Base-Backbone interact. energy: -1.518 local terms energy: -717.582569 where: bonds (distance) C4'-P energy: -140.902 bonds (distance) P-C4' energy: -123.311 flat angles C4'-P-C4' energy: -148.933 flat angles P-C4'-P energy: -98.833 tors. eta vs tors. theta energy: -205.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2394.422921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.422921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.422921 (E_RNA) where: Base-Base interactions energy: -1686.917 where: short stacking energy: -730.046 Base-Backbone interact. energy: -2.281 local terms energy: -705.225191 where: bonds (distance) C4'-P energy: -123.377 bonds (distance) P-C4' energy: -143.228 flat angles C4'-P-C4' energy: -166.523 flat angles P-C4'-P energy: -93.226 tors. eta vs tors. theta energy: -178.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -2166.324259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.324259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.324259 (E_RNA) where: Base-Base interactions energy: -1469.581 where: short stacking energy: -651.052 Base-Backbone interact. energy: -1.963 local terms energy: -694.780161 where: bonds (distance) C4'-P energy: -140.225 bonds (distance) P-C4' energy: -151.514 flat angles C4'-P-C4' energy: -135.435 flat angles P-C4'-P energy: -97.094 tors. eta vs tors. theta energy: -170.512 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: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1794.943830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.943830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.943830 (E_RNA) where: Base-Base interactions energy: -1223.136 where: short stacking energy: -522.572 Base-Backbone interact. energy: -0.148 local terms energy: -571.658902 where: bonds (distance) C4'-P energy: -114.643 bonds (distance) P-C4' energy: -133.686 flat angles C4'-P-C4' energy: -154.722 flat angles P-C4'-P energy: -69.568 tors. eta vs tors. theta energy: -99.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1281.624910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.624910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.624910 (E_RNA) where: Base-Base interactions energy: -828.563 where: short stacking energy: -389.972 Base-Backbone interact. energy: 0.481 local terms energy: -453.542187 where: bonds (distance) C4'-P energy: -112.702 bonds (distance) P-C4' energy: -116.526 flat angles C4'-P-C4' energy: -108.870 flat angles P-C4'-P energy: -89.697 tors. eta vs tors. theta energy: -25.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3078.099333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.099333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.099333 (E_RNA) where: Base-Base interactions energy: -2227.449 where: short stacking energy: -904.364 Base-Backbone interact. energy: -3.357 local terms energy: -847.293716 where: bonds (distance) C4'-P energy: -150.062 bonds (distance) P-C4' energy: -166.244 flat angles C4'-P-C4' energy: -184.473 flat angles P-C4'-P energy: -115.423 tors. eta vs tors. theta energy: -231.092 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: 3 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2915.588989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.588989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.588989 (E_RNA) where: Base-Base interactions energy: -2072.049 where: short stacking energy: -870.581 Base-Backbone interact. energy: -2.536 local terms energy: -841.003373 where: bonds (distance) C4'-P energy: -159.715 bonds (distance) P-C4' energy: -145.029 flat angles C4'-P-C4' energy: -172.288 flat angles P-C4'-P energy: -125.358 tors. eta vs tors. theta energy: -238.613 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: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2863.032648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.032648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.032648 (E_RNA) where: Base-Base interactions energy: -2054.422 where: short stacking energy: -835.156 Base-Backbone interact. energy: -1.723 local terms energy: -806.887927 where: bonds (distance) C4'-P energy: -141.298 bonds (distance) P-C4' energy: -154.345 flat angles C4'-P-C4' energy: -174.873 flat angles P-C4'-P energy: -122.715 tors. eta vs tors. theta energy: -213.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2754.747429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.747429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.747429 (E_RNA) where: Base-Base interactions energy: -1924.026 where: short stacking energy: -806.423 Base-Backbone interact. energy: -5.019 local terms energy: -825.702759 where: bonds (distance) C4'-P energy: -164.531 bonds (distance) P-C4' energy: -142.343 flat angles C4'-P-C4' energy: -175.876 flat angles P-C4'-P energy: -111.019 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: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2648.961869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.961869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.961869 (E_RNA) where: Base-Base interactions energy: -1839.225 where: short stacking energy: -800.583 Base-Backbone interact. energy: -1.618 local terms energy: -808.119702 where: bonds (distance) C4'-P energy: -138.405 bonds (distance) P-C4' energy: -152.296 flat angles C4'-P-C4' energy: -167.294 flat angles P-C4'-P energy: -112.742 tors. eta vs tors. theta energy: -237.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2518.727108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.727108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.727108 (E_RNA) where: Base-Base interactions energy: -1804.134 where: short stacking energy: -732.907 Base-Backbone interact. energy: 5.272 local terms energy: -719.865511 where: bonds (distance) C4'-P energy: -137.314 bonds (distance) P-C4' energy: -142.973 flat angles C4'-P-C4' energy: -162.031 flat angles P-C4'-P energy: -101.670 tors. eta vs tors. theta energy: -175.878 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: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2391.485143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.485143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.485143 (E_RNA) where: Base-Base interactions energy: -1697.126 where: short stacking energy: -707.436 Base-Backbone interact. energy: -4.798 local terms energy: -689.561179 where: bonds (distance) C4'-P energy: -128.935 bonds (distance) P-C4' energy: -127.284 flat angles C4'-P-C4' energy: -157.395 flat angles P-C4'-P energy: -101.136 tors. eta vs tors. theta energy: -174.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -2262.415139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.415139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.415139 (E_RNA) where: Base-Base interactions energy: -1597.854 where: short stacking energy: -690.461 Base-Backbone interact. energy: 4.534 local terms energy: -669.094854 where: bonds (distance) C4'-P energy: -122.805 bonds (distance) P-C4' energy: -137.509 flat angles C4'-P-C4' energy: -153.795 flat angles P-C4'-P energy: -97.095 tors. eta vs tors. theta energy: -157.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1823.799777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.799777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.799777 (E_RNA) where: Base-Base interactions energy: -1243.048 where: short stacking energy: -531.114 Base-Backbone interact. energy: 5.573 local terms energy: -586.324705 where: bonds (distance) C4'-P energy: -108.571 bonds (distance) P-C4' energy: -151.909 flat angles C4'-P-C4' energy: -138.310 flat angles P-C4'-P energy: -73.241 tors. eta vs tors. theta energy: -114.294 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: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1316.311199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.311199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.311199 (E_RNA) where: Base-Base interactions energy: -797.925 where: short stacking energy: -354.767 Base-Backbone interact. energy: -1.895 local terms energy: -516.490992 where: bonds (distance) C4'-P energy: -122.609 bonds (distance) P-C4' energy: -144.612 flat angles C4'-P-C4' energy: -119.050 flat angles P-C4'-P energy: -78.721 tors. eta vs tors. theta energy: -51.499 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: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3081.218154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.218154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.218154 (E_RNA) where: Base-Base interactions energy: -2200.114 where: short stacking energy: -889.514 Base-Backbone interact. energy: -7.441 local terms energy: -873.664050 where: bonds (distance) C4'-P energy: -153.861 bonds (distance) P-C4' energy: -160.619 flat angles C4'-P-C4' energy: -183.056 flat angles P-C4'-P energy: -140.619 tors. eta vs tors. theta energy: -235.509 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: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2924.476942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.476942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.476942 (E_RNA) where: Base-Base interactions energy: -2069.138 where: short stacking energy: -865.950 Base-Backbone interact. energy: -6.331 local terms energy: -849.008390 where: bonds (distance) C4'-P energy: -152.756 bonds (distance) P-C4' energy: -155.719 flat angles C4'-P-C4' energy: -178.217 flat angles P-C4'-P energy: -125.907 tors. eta vs tors. theta energy: -236.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2855.623205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.623205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.623205 (E_RNA) where: Base-Base interactions energy: -2023.855 where: short stacking energy: -846.394 Base-Backbone interact. energy: -4.616 local terms energy: -827.152680 where: bonds (distance) C4'-P energy: -147.755 bonds (distance) P-C4' energy: -160.768 flat angles C4'-P-C4' energy: -177.535 flat angles P-C4'-P energy: -116.982 tors. eta vs tors. theta energy: -224.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2777.237902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.237902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.237902 (E_RNA) where: Base-Base interactions energy: -1968.951 where: short stacking energy: -858.771 Base-Backbone interact. energy: -4.055 local terms energy: -804.232478 where: bonds (distance) C4'-P energy: -127.313 bonds (distance) P-C4' energy: -150.007 flat angles C4'-P-C4' energy: -185.514 flat angles P-C4'-P energy: -116.952 tors. eta vs tors. theta energy: -224.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2658.640461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.640461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.640461 (E_RNA) where: Base-Base interactions energy: -1878.123 where: short stacking energy: -826.224 Base-Backbone interact. energy: -4.097 local terms energy: -776.420584 where: bonds (distance) C4'-P energy: -135.212 bonds (distance) P-C4' energy: -127.207 flat angles C4'-P-C4' energy: -173.163 flat angles P-C4'-P energy: -123.241 tors. eta vs tors. theta energy: -217.598 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: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2457.766724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.766724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.766724 (E_RNA) where: Base-Base interactions energy: -1735.361 where: short stacking energy: -714.912 Base-Backbone interact. energy: -1.458 local terms energy: -720.946955 where: bonds (distance) C4'-P energy: -134.177 bonds (distance) P-C4' energy: -150.615 flat angles C4'-P-C4' energy: -157.370 flat angles P-C4'-P energy: -106.252 tors. eta vs tors. theta energy: -172.533 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: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2431.735120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.735120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.735120 (E_RNA) where: Base-Base interactions energy: -1718.412 where: short stacking energy: -710.958 Base-Backbone interact. energy: 4.806 local terms energy: -718.129302 where: bonds (distance) C4'-P energy: -147.554 bonds (distance) P-C4' energy: -148.396 flat angles C4'-P-C4' energy: -155.683 flat angles P-C4'-P energy: -97.615 tors. eta vs tors. theta energy: -168.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -2265.820432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.820432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.820432 (E_RNA) where: Base-Base interactions energy: -1566.896 where: short stacking energy: -678.661 Base-Backbone interact. energy: -1.317 local terms energy: -697.607612 where: bonds (distance) C4'-P energy: -158.212 bonds (distance) P-C4' energy: -134.995 flat angles C4'-P-C4' energy: -145.692 flat angles P-C4'-P energy: -90.098 tors. eta vs tors. theta energy: -168.611 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: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1831.396994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.396994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.396994 (E_RNA) where: Base-Base interactions energy: -1243.429 where: short stacking energy: -558.199 Base-Backbone interact. energy: 9.664 local terms energy: -597.631776 where: bonds (distance) C4'-P energy: -132.615 bonds (distance) P-C4' energy: -127.630 flat angles C4'-P-C4' energy: -114.203 flat angles P-C4'-P energy: -92.462 tors. eta vs tors. theta energy: -130.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1228.220010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.220010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.220010 (E_RNA) where: Base-Base interactions energy: -745.837 where: short stacking energy: -351.977 Base-Backbone interact. energy: -2.101 local terms energy: -480.282046 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -142.312 flat angles C4'-P-C4' energy: -122.373 flat angles P-C4'-P energy: -74.543 tors. eta vs tors. theta energy: -29.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3101.483771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.483771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.483771 (E_RNA) where: Base-Base interactions energy: -2232.668 where: short stacking energy: -909.986 Base-Backbone interact. energy: -3.590 local terms energy: -865.225316 where: bonds (distance) C4'-P energy: -156.087 bonds (distance) P-C4' energy: -158.715 flat angles C4'-P-C4' energy: -192.670 flat angles P-C4'-P energy: -121.430 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: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2969.416162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.416162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.416162 (E_RNA) where: Base-Base interactions energy: -2077.901 where: short stacking energy: -878.842 Base-Backbone interact. energy: -0.512 local terms energy: -891.003201 where: bonds (distance) C4'-P energy: -171.448 bonds (distance) P-C4' energy: -177.106 flat angles C4'-P-C4' energy: -180.863 flat angles P-C4'-P energy: -119.587 tors. eta vs tors. theta energy: -241.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2840.984675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.984675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.984675 (E_RNA) where: Base-Base interactions energy: -2020.073 where: short stacking energy: -838.679 Base-Backbone interact. energy: -6.101 local terms energy: -814.810592 where: bonds (distance) C4'-P energy: -139.309 bonds (distance) P-C4' energy: -170.180 flat angles C4'-P-C4' energy: -180.184 flat angles P-C4'-P energy: -101.759 tors. eta vs tors. theta energy: -223.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2738.442824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.442824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.442824 (E_RNA) where: Base-Base interactions energy: -1948.186 where: short stacking energy: -820.906 Base-Backbone interact. energy: -2.051 local terms energy: -788.205183 where: bonds (distance) C4'-P energy: -142.261 bonds (distance) P-C4' energy: -160.648 flat angles C4'-P-C4' energy: -166.349 flat angles P-C4'-P energy: -105.597 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: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2624.191761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.191761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.191761 (E_RNA) where: Base-Base interactions energy: -1838.378 where: short stacking energy: -793.874 Base-Backbone interact. energy: 1.063 local terms energy: -786.876573 where: bonds (distance) C4'-P energy: -152.629 bonds (distance) P-C4' energy: -138.657 flat angles C4'-P-C4' energy: -171.737 flat angles P-C4'-P energy: -114.164 tors. eta vs tors. theta energy: -209.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2455.246309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.246309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.246309 (E_RNA) where: Base-Base interactions energy: -1727.827 where: short stacking energy: -731.230 Base-Backbone interact. energy: -1.842 local terms energy: -725.577274 where: bonds (distance) C4'-P energy: -138.811 bonds (distance) P-C4' energy: -138.335 flat angles C4'-P-C4' energy: -169.564 flat angles P-C4'-P energy: -94.511 tors. eta vs tors. theta energy: -184.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2424.686637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.686637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.686637 (E_RNA) where: Base-Base interactions energy: -1717.492 where: short stacking energy: -730.065 Base-Backbone interact. energy: 1.256 local terms energy: -708.451287 where: bonds (distance) C4'-P energy: -151.262 bonds (distance) P-C4' energy: -135.317 flat angles C4'-P-C4' energy: -153.507 flat angles P-C4'-P energy: -85.759 tors. eta vs tors. theta energy: -182.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -2263.131469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.131469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.131469 (E_RNA) where: Base-Base interactions energy: -1587.157 where: short stacking energy: -689.100 Base-Backbone interact. energy: 0.126 local terms energy: -676.100663 where: bonds (distance) C4'-P energy: -120.014 bonds (distance) P-C4' energy: -144.366 flat angles C4'-P-C4' energy: -152.574 flat angles P-C4'-P energy: -95.964 tors. eta vs tors. theta energy: -163.182 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: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1895.503745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.503745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.503745 (E_RNA) where: Base-Base interactions energy: -1259.105 where: short stacking energy: -584.669 Base-Backbone interact. energy: 4.955 local terms energy: -641.354132 where: bonds (distance) C4'-P energy: -116.325 bonds (distance) P-C4' energy: -131.739 flat angles C4'-P-C4' energy: -161.756 flat angles P-C4'-P energy: -105.624 tors. eta vs tors. theta energy: -125.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1276.864740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.864740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.864740 (E_RNA) where: Base-Base interactions energy: -749.951 where: short stacking energy: -383.452 Base-Backbone interact. energy: -1.893 local terms energy: -525.020700 where: bonds (distance) C4'-P energy: -134.178 bonds (distance) P-C4' energy: -133.449 flat angles C4'-P-C4' energy: -132.634 flat angles P-C4'-P energy: -77.449 tors. eta vs tors. theta energy: -47.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3094.719728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.719728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.719728 (E_RNA) where: Base-Base interactions energy: -2189.039 where: short stacking energy: -900.365 Base-Backbone interact. energy: -4.771 local terms energy: -900.910464 where: bonds (distance) C4'-P energy: -175.614 bonds (distance) P-C4' energy: -178.689 flat angles C4'-P-C4' energy: -180.692 flat angles P-C4'-P energy: -128.581 tors. eta vs tors. theta energy: -237.334 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: 375 Temperature: 0.950000 Total energy: -2957.672695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.672695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.672695 (E_RNA) where: Base-Base interactions energy: -2095.277 where: short stacking energy: -893.596 Base-Backbone interact. energy: -7.962 local terms energy: -854.434229 where: bonds (distance) C4'-P energy: -159.276 bonds (distance) P-C4' energy: -157.342 flat angles C4'-P-C4' energy: -179.843 flat angles P-C4'-P energy: -116.869 tors. eta vs tors. theta energy: -241.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2830.672437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.672437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.672437 (E_RNA) where: Base-Base interactions energy: -2017.499 where: short stacking energy: -828.717 Base-Backbone interact. energy: -6.249 local terms energy: -806.924454 where: bonds (distance) C4'-P energy: -127.670 bonds (distance) P-C4' energy: -165.126 flat angles C4'-P-C4' energy: -169.475 flat angles P-C4'-P energy: -129.585 tors. eta vs tors. theta energy: -215.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2728.957837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.957837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.957837 (E_RNA) where: Base-Base interactions energy: -1960.335 where: short stacking energy: -815.078 Base-Backbone interact. energy: -1.047 local terms energy: -767.575487 where: bonds (distance) C4'-P energy: -148.258 bonds (distance) P-C4' energy: -156.726 flat angles C4'-P-C4' energy: -147.874 flat angles P-C4'-P energy: -112.853 tors. eta vs tors. theta energy: -201.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2615.550103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.550103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.550103 (E_RNA) where: Base-Base interactions energy: -1843.584 where: short stacking energy: -821.530 Base-Backbone interact. energy: -3.766 local terms energy: -768.200339 where: bonds (distance) C4'-P energy: -140.481 bonds (distance) P-C4' energy: -142.272 flat angles C4'-P-C4' energy: -165.891 flat angles P-C4'-P energy: -94.688 tors. eta vs tors. theta energy: -224.868 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: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2497.340935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.340935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.340935 (E_RNA) where: Base-Base interactions energy: -1795.384 where: short stacking energy: -772.496 Base-Backbone interact. energy: -0.015 local terms energy: -701.942496 where: bonds (distance) C4'-P energy: -120.964 bonds (distance) P-C4' energy: -131.549 flat angles C4'-P-C4' energy: -153.098 flat angles P-C4'-P energy: -99.169 tors. eta vs tors. theta energy: -197.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2384.482382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.482382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.482382 (E_RNA) where: Base-Base interactions energy: -1697.901 where: short stacking energy: -699.263 Base-Backbone interact. energy: -3.727 local terms energy: -682.854130 where: bonds (distance) C4'-P energy: -125.385 bonds (distance) P-C4' energy: -136.877 flat angles C4'-P-C4' energy: -138.460 flat angles P-C4'-P energy: -104.026 tors. eta vs tors. theta energy: -178.106 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: 375 Temperature: 1.250000 Total energy: -2250.306167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.306167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.306167 (E_RNA) where: Base-Base interactions energy: -1577.789 where: short stacking energy: -657.393 Base-Backbone interact. energy: -2.675 local terms energy: -669.841490 where: bonds (distance) C4'-P energy: -123.011 bonds (distance) P-C4' energy: -135.378 flat angles C4'-P-C4' energy: -147.156 flat angles P-C4'-P energy: -99.960 tors. eta vs tors. theta energy: -164.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1813.113640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.113640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.113640 (E_RNA) where: Base-Base interactions energy: -1227.389 where: short stacking energy: -538.535 Base-Backbone interact. energy: 0.137 local terms energy: -585.861837 where: bonds (distance) C4'-P energy: -114.408 bonds (distance) P-C4' energy: -137.966 flat angles C4'-P-C4' energy: -135.829 flat angles P-C4'-P energy: -73.700 tors. eta vs tors. theta energy: -123.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1308.805128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.805128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.805128 (E_RNA) where: Base-Base interactions energy: -811.418 where: short stacking energy: -373.869 Base-Backbone interact. energy: 3.173 local terms energy: -500.560145 where: bonds (distance) C4'-P energy: -104.061 bonds (distance) P-C4' energy: -118.932 flat angles C4'-P-C4' energy: -141.717 flat angles P-C4'-P energy: -75.024 tors. eta vs tors. theta energy: -60.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3075.774293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.774293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.774293 (E_RNA) where: Base-Base interactions energy: -2205.337 where: short stacking energy: -871.040 Base-Backbone interact. energy: -6.270 local terms energy: -864.167174 where: bonds (distance) C4'-P energy: -164.518 bonds (distance) P-C4' energy: -159.753 flat angles C4'-P-C4' energy: -182.993 flat angles P-C4'-P energy: -132.833 tors. eta vs tors. theta energy: -224.070 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: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2974.384300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.384300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.384300 (E_RNA) where: Base-Base interactions energy: -2119.735 where: short stacking energy: -884.854 Base-Backbone interact. energy: -5.710 local terms energy: -848.939148 where: bonds (distance) C4'-P energy: -137.929 bonds (distance) P-C4' energy: -155.228 flat angles C4'-P-C4' energy: -187.907 flat angles P-C4'-P energy: -124.881 tors. eta vs tors. theta energy: -242.994 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: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2751.859716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.859716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.859716 (E_RNA) where: Base-Base interactions energy: -1949.171 where: short stacking energy: -820.893 Base-Backbone interact. energy: -4.145 local terms energy: -798.543642 where: bonds (distance) C4'-P energy: -159.564 bonds (distance) P-C4' energy: -140.042 flat angles C4'-P-C4' energy: -173.998 flat angles P-C4'-P energy: -96.406 tors. eta vs tors. theta energy: -228.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2741.597317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.597317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.597317 (E_RNA) where: Base-Base interactions energy: -1981.150 where: short stacking energy: -791.564 Base-Backbone interact. energy: -2.283 local terms energy: -758.163718 where: bonds (distance) C4'-P energy: -137.701 bonds (distance) P-C4' energy: -139.891 flat angles C4'-P-C4' energy: -160.970 flat angles P-C4'-P energy: -98.388 tors. eta vs tors. theta energy: -221.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2596.496567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.496567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.496567 (E_RNA) where: Base-Base interactions energy: -1836.992 where: short stacking energy: -798.226 Base-Backbone interact. energy: -1.510 local terms energy: -757.994252 where: bonds (distance) C4'-P energy: -138.386 bonds (distance) P-C4' energy: -143.325 flat angles C4'-P-C4' energy: -162.230 flat angles P-C4'-P energy: -99.504 tors. eta vs tors. theta energy: -214.549 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: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2509.379382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.379382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.379382 (E_RNA) where: Base-Base interactions energy: -1800.233 where: short stacking energy: -761.393 Base-Backbone interact. energy: 2.709 local terms energy: -711.855315 where: bonds (distance) C4'-P energy: -99.790 bonds (distance) P-C4' energy: -144.784 flat angles C4'-P-C4' energy: -169.126 flat angles P-C4'-P energy: -94.574 tors. eta vs tors. theta energy: -203.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2394.502445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.502445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.502445 (E_RNA) where: Base-Base interactions energy: -1667.634 where: short stacking energy: -694.317 Base-Backbone interact. energy: -0.698 local terms energy: -726.170988 where: bonds (distance) C4'-P energy: -161.460 bonds (distance) P-C4' energy: -135.819 flat angles C4'-P-C4' energy: -168.110 flat angles P-C4'-P energy: -91.683 tors. eta vs tors. theta energy: -169.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -2224.364093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.364093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.364093 (E_RNA) where: Base-Base interactions energy: -1569.981 where: short stacking energy: -670.351 Base-Backbone interact. energy: -1.926 local terms energy: -652.456275 where: bonds (distance) C4'-P energy: -120.988 bonds (distance) P-C4' energy: -117.423 flat angles C4'-P-C4' energy: -138.083 flat angles P-C4'-P energy: -108.676 tors. eta vs tors. theta energy: -167.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1733.940424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.940424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.940424 (E_RNA) where: Base-Base interactions energy: -1180.309 where: short stacking energy: -513.061 Base-Backbone interact. energy: -2.921 local terms energy: -550.711149 where: bonds (distance) C4'-P energy: -121.309 bonds (distance) P-C4' energy: -134.864 flat angles C4'-P-C4' energy: -126.246 flat angles P-C4'-P energy: -72.034 tors. eta vs tors. theta energy: -96.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1323.165069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.165069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.165069 (E_RNA) where: Base-Base interactions energy: -829.611 where: short stacking energy: -414.556 Base-Backbone interact. energy: 0.700 local terms energy: -494.254643 where: bonds (distance) C4'-P energy: -132.840 bonds (distance) P-C4' energy: -123.603 flat angles C4'-P-C4' energy: -121.661 flat angles P-C4'-P energy: -67.781 tors. eta vs tors. theta energy: -48.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3066.891156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.891156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.891156 (E_RNA) where: Base-Base interactions energy: -2219.282 where: short stacking energy: -905.334 Base-Backbone interact. energy: -1.797 local terms energy: -845.812873 where: bonds (distance) C4'-P energy: -157.862 bonds (distance) P-C4' energy: -151.379 flat angles C4'-P-C4' energy: -178.068 flat angles P-C4'-P energy: -119.919 tors. eta vs tors. theta energy: -238.584 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: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2975.668549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.668549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.668549 (E_RNA) where: Base-Base interactions energy: -2109.550 where: short stacking energy: -886.737 Base-Backbone interact. energy: -7.337 local terms energy: -858.781409 where: bonds (distance) C4'-P energy: -160.234 bonds (distance) P-C4' energy: -159.234 flat angles C4'-P-C4' energy: -165.837 flat angles P-C4'-P energy: -125.619 tors. eta vs tors. theta energy: -247.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2788.646577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.646577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.646577 (E_RNA) where: Base-Base interactions energy: -1988.157 where: short stacking energy: -841.314 Base-Backbone interact. energy: 0.148 local terms energy: -800.637669 where: bonds (distance) C4'-P energy: -148.931 bonds (distance) P-C4' energy: -154.242 flat angles C4'-P-C4' energy: -180.227 flat angles P-C4'-P energy: -111.639 tors. eta vs tors. theta energy: -205.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2768.529696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.529696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.529696 (E_RNA) where: Base-Base interactions energy: -1961.153 where: short stacking energy: -807.233 Base-Backbone interact. energy: -4.180 local terms energy: -803.196032 where: bonds (distance) C4'-P energy: -141.541 bonds (distance) P-C4' energy: -149.397 flat angles C4'-P-C4' energy: -173.155 flat angles P-C4'-P energy: -119.775 tors. eta vs tors. theta energy: -219.328 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: 377 Temperature: 1.100000 Total energy: -2595.708418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.708418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.708418 (E_RNA) where: Base-Base interactions energy: -1820.348 where: short stacking energy: -786.119 Base-Backbone interact. energy: -2.724 local terms energy: -772.636327 where: bonds (distance) C4'-P energy: -144.942 bonds (distance) P-C4' energy: -159.202 flat angles C4'-P-C4' energy: -146.653 flat angles P-C4'-P energy: -111.631 tors. eta vs tors. theta energy: -210.208 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: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2507.908366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.908366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.908366 (E_RNA) where: Base-Base interactions energy: -1764.577 where: short stacking energy: -738.551 Base-Backbone interact. energy: -1.704 local terms energy: -741.627529 where: bonds (distance) C4'-P energy: -133.180 bonds (distance) P-C4' energy: -140.270 flat angles C4'-P-C4' energy: -158.539 flat angles P-C4'-P energy: -114.793 tors. eta vs tors. theta energy: -194.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2396.607113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.607113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.607113 (E_RNA) where: Base-Base interactions energy: -1715.475 where: short stacking energy: -715.974 Base-Backbone interact. energy: -1.762 local terms energy: -679.369626 where: bonds (distance) C4'-P energy: -121.871 bonds (distance) P-C4' energy: -137.915 flat angles C4'-P-C4' energy: -163.656 flat angles P-C4'-P energy: -100.786 tors. eta vs tors. theta energy: -155.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -2242.705773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.705773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.705773 (E_RNA) where: Base-Base interactions energy: -1549.817 where: short stacking energy: -669.255 Base-Backbone interact. energy: 0.674 local terms energy: -693.562441 where: bonds (distance) C4'-P energy: -142.366 bonds (distance) P-C4' energy: -122.904 flat angles C4'-P-C4' energy: -155.572 flat angles P-C4'-P energy: -89.095 tors. eta vs tors. theta energy: -183.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1835.818523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.818523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.818523 (E_RNA) where: Base-Base interactions energy: -1224.254 where: short stacking energy: -562.171 Base-Backbone interact. energy: 0.008 local terms energy: -611.573000 where: bonds (distance) C4'-P energy: -128.234 bonds (distance) P-C4' energy: -124.447 flat angles C4'-P-C4' energy: -141.299 flat angles P-C4'-P energy: -88.534 tors. eta vs tors. theta energy: -129.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1292.520049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.520049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.520049 (E_RNA) where: Base-Base interactions energy: -773.837 where: short stacking energy: -395.077 Base-Backbone interact. energy: 0.961 local terms energy: -519.643653 where: bonds (distance) C4'-P energy: -125.981 bonds (distance) P-C4' energy: -134.554 flat angles C4'-P-C4' energy: -126.640 flat angles P-C4'-P energy: -71.659 tors. eta vs tors. theta energy: -60.810 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: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3018.273431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.273431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.273431 (E_RNA) where: Base-Base interactions energy: -2144.672 where: short stacking energy: -897.107 Base-Backbone interact. energy: -5.776 local terms energy: -867.825943 where: bonds (distance) C4'-P energy: -155.803 bonds (distance) P-C4' energy: -157.939 flat angles C4'-P-C4' energy: -171.708 flat angles P-C4'-P energy: -130.314 tors. eta vs tors. theta energy: -252.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -3011.896808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.896808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.896808 (E_RNA) where: Base-Base interactions energy: -2204.199 where: short stacking energy: -899.291 Base-Backbone interact. energy: -2.600 local terms energy: -805.098391 where: bonds (distance) C4'-P energy: -126.075 bonds (distance) P-C4' energy: -161.673 flat angles C4'-P-C4' energy: -164.066 flat angles P-C4'-P energy: -121.056 tors. eta vs tors. theta energy: -232.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2767.081283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.081283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.081283 (E_RNA) where: Base-Base interactions energy: -1989.548 where: short stacking energy: -821.532 Base-Backbone interact. energy: -0.849 local terms energy: -776.684353 where: bonds (distance) C4'-P energy: -123.181 bonds (distance) P-C4' energy: -156.213 flat angles C4'-P-C4' energy: -175.997 flat angles P-C4'-P energy: -105.376 tors. eta vs tors. theta energy: -215.917 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: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2773.095923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.095923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.095923 (E_RNA) where: Base-Base interactions energy: -1957.389 where: short stacking energy: -812.725 Base-Backbone interact. energy: -2.083 local terms energy: -813.623162 where: bonds (distance) C4'-P energy: -162.252 bonds (distance) P-C4' energy: -153.936 flat angles C4'-P-C4' energy: -172.450 flat angles P-C4'-P energy: -100.476 tors. eta vs tors. theta energy: -224.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2648.393425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.393425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.393425 (E_RNA) where: Base-Base interactions energy: -1875.984 where: short stacking energy: -774.103 Base-Backbone interact. energy: -1.667 local terms energy: -770.743141 where: bonds (distance) C4'-P energy: -146.282 bonds (distance) P-C4' energy: -141.668 flat angles C4'-P-C4' energy: -154.076 flat angles P-C4'-P energy: -106.794 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: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2525.317793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.317793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.317793 (E_RNA) where: Base-Base interactions energy: -1825.246 where: short stacking energy: -762.463 Base-Backbone interact. energy: -1.275 local terms energy: -698.796994 where: bonds (distance) C4'-P energy: -130.237 bonds (distance) P-C4' energy: -126.206 flat angles C4'-P-C4' energy: -144.245 flat angles P-C4'-P energy: -100.524 tors. eta vs tors. theta energy: -197.585 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: 378 Temperature: 1.200000 Total energy: -2452.232138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.232138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.232138 (E_RNA) where: Base-Base interactions energy: -1728.488 where: short stacking energy: -723.246 Base-Backbone interact. energy: 3.618 local terms energy: -727.361626 where: bonds (distance) C4'-P energy: -136.148 bonds (distance) P-C4' energy: -148.713 flat angles C4'-P-C4' energy: -164.534 flat angles P-C4'-P energy: -101.143 tors. eta vs tors. theta energy: -176.824 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: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -2228.494265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.494265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.494265 (E_RNA) where: Base-Base interactions energy: -1581.654 where: short stacking energy: -659.267 Base-Backbone interact. energy: -2.482 local terms energy: -644.358519 where: bonds (distance) C4'-P energy: -111.218 bonds (distance) P-C4' energy: -135.564 flat angles C4'-P-C4' energy: -145.601 flat angles P-C4'-P energy: -87.495 tors. eta vs tors. theta energy: -164.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1869.434173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.434173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.434173 (E_RNA) where: Base-Base interactions energy: -1236.960 where: short stacking energy: -554.977 Base-Backbone interact. energy: -0.947 local terms energy: -631.526899 where: bonds (distance) C4'-P energy: -139.892 bonds (distance) P-C4' energy: -128.908 flat angles C4'-P-C4' energy: -147.935 flat angles P-C4'-P energy: -92.939 tors. eta vs tors. theta energy: -121.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1203.216952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.216952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.216952 (E_RNA) where: Base-Base interactions energy: -721.746 where: short stacking energy: -368.643 Base-Backbone interact. energy: 7.355 local terms energy: -488.825546 where: bonds (distance) C4'-P energy: -115.477 bonds (distance) P-C4' energy: -132.865 flat angles C4'-P-C4' energy: -133.590 flat angles P-C4'-P energy: -73.033 tors. eta vs tors. theta energy: -33.860 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: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3025.643630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.643630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.643630 (E_RNA) where: Base-Base interactions energy: -2137.245 where: short stacking energy: -901.467 Base-Backbone interact. energy: -0.859 local terms energy: -887.538953 where: bonds (distance) C4'-P energy: -164.242 bonds (distance) P-C4' energy: -146.227 flat angles C4'-P-C4' energy: -198.128 flat angles P-C4'-P energy: -135.824 tors. eta vs tors. theta energy: -243.118 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: 379 Temperature: 0.950000 Total energy: -3041.313600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.313600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.313600 (E_RNA) where: Base-Base interactions energy: -2208.501 where: short stacking energy: -912.248 Base-Backbone interact. energy: -5.916 local terms energy: -826.896514 where: bonds (distance) C4'-P energy: -138.333 bonds (distance) P-C4' energy: -142.517 flat angles C4'-P-C4' energy: -186.462 flat angles P-C4'-P energy: -129.474 tors. eta vs tors. theta energy: -230.111 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: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2796.992853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.992853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.992853 (E_RNA) where: Base-Base interactions energy: -1981.802 where: short stacking energy: -844.662 Base-Backbone interact. energy: -4.103 local terms energy: -811.087374 where: bonds (distance) C4'-P energy: -156.314 bonds (distance) P-C4' energy: -148.727 flat angles C4'-P-C4' energy: -177.509 flat angles P-C4'-P energy: -116.435 tors. eta vs tors. theta energy: -212.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2759.601402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.601402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.601402 (E_RNA) where: Base-Base interactions energy: -1950.395 where: short stacking energy: -783.562 Base-Backbone interact. energy: -8.648 local terms energy: -800.559162 where: bonds (distance) C4'-P energy: -152.504 bonds (distance) P-C4' energy: -144.392 flat angles C4'-P-C4' energy: -171.067 flat angles P-C4'-P energy: -115.903 tors. eta vs tors. theta energy: -216.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2660.416089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.416089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.416089 (E_RNA) where: Base-Base interactions energy: -1862.894 where: short stacking energy: -804.813 Base-Backbone interact. energy: -2.017 local terms energy: -795.504619 where: bonds (distance) C4'-P energy: -136.485 bonds (distance) P-C4' energy: -151.337 flat angles C4'-P-C4' energy: -165.456 flat angles P-C4'-P energy: -111.731 tors. eta vs tors. theta energy: -230.496 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: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2497.012492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.012492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.012492 (E_RNA) where: Base-Base interactions energy: -1758.769 where: short stacking energy: -738.722 Base-Backbone interact. energy: -3.343 local terms energy: -734.901029 where: bonds (distance) C4'-P energy: -131.404 bonds (distance) P-C4' energy: -148.947 flat angles C4'-P-C4' energy: -150.394 flat angles P-C4'-P energy: -120.568 tors. eta vs tors. theta energy: -183.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2402.207808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.207808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.207808 (E_RNA) where: Base-Base interactions energy: -1714.584 where: short stacking energy: -724.129 Base-Backbone interact. energy: -4.436 local terms energy: -683.187738 where: bonds (distance) C4'-P energy: -130.965 bonds (distance) P-C4' energy: -132.987 flat angles C4'-P-C4' energy: -155.860 flat angles P-C4'-P energy: -91.867 tors. eta vs tors. theta energy: -171.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -2206.770872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.770872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.770872 (E_RNA) where: Base-Base interactions energy: -1529.028 where: short stacking energy: -637.081 Base-Backbone interact. energy: 0.255 local terms energy: -677.997154 where: bonds (distance) C4'-P energy: -133.262 bonds (distance) P-C4' energy: -143.479 flat angles C4'-P-C4' energy: -143.424 flat angles P-C4'-P energy: -91.645 tors. eta vs tors. theta energy: -166.188 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: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1917.926099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.926099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.926099 (E_RNA) where: Base-Base interactions energy: -1346.311 where: short stacking energy: -593.705 Base-Backbone interact. energy: 0.990 local terms energy: -572.604715 where: bonds (distance) C4'-P energy: -130.535 bonds (distance) P-C4' energy: -119.783 flat angles C4'-P-C4' energy: -117.378 flat angles P-C4'-P energy: -72.126 tors. eta vs tors. theta energy: -132.782 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: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1301.834825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.834825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.834825 (E_RNA) where: Base-Base interactions energy: -791.644 where: short stacking energy: -351.897 Base-Backbone interact. energy: 4.767 local terms energy: -514.957634 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -150.275 flat angles C4'-P-C4' energy: -140.448 flat angles P-C4'-P energy: -67.361 tors. eta vs tors. theta energy: -40.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3019.695533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.695533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.695533 (E_RNA) where: Base-Base interactions energy: -2149.629 where: short stacking energy: -902.808 Base-Backbone interact. energy: -4.718 local terms energy: -865.348424 where: bonds (distance) C4'-P energy: -149.701 bonds (distance) P-C4' energy: -163.009 flat angles C4'-P-C4' energy: -181.908 flat angles P-C4'-P energy: -130.933 tors. eta vs tors. theta energy: -239.797 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: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2994.117312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.117312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.117312 (E_RNA) where: Base-Base interactions energy: -2153.623 where: short stacking energy: -890.425 Base-Backbone interact. energy: -3.160 local terms energy: -837.333712 where: bonds (distance) C4'-P energy: -152.811 bonds (distance) P-C4' energy: -151.062 flat angles C4'-P-C4' energy: -176.556 flat angles P-C4'-P energy: -123.775 tors. eta vs tors. theta energy: -233.130 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: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2817.292624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.292624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.292624 (E_RNA) where: Base-Base interactions energy: -2030.718 where: short stacking energy: -856.884 Base-Backbone interact. energy: -3.674 local terms energy: -782.900197 where: bonds (distance) C4'-P energy: -110.859 bonds (distance) P-C4' energy: -160.066 flat angles C4'-P-C4' energy: -170.793 flat angles P-C4'-P energy: -122.772 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: 4, replica: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2735.461510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.461510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.461510 (E_RNA) where: Base-Base interactions energy: -1928.083 where: short stacking energy: -817.027 Base-Backbone interact. energy: -5.563 local terms energy: -801.815266 where: bonds (distance) C4'-P energy: -130.523 bonds (distance) P-C4' energy: -154.414 flat angles C4'-P-C4' energy: -166.220 flat angles P-C4'-P energy: -124.826 tors. eta vs tors. theta energy: -225.832 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: 380 Temperature: 1.100000 Total energy: -2597.474197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.474197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.474197 (E_RNA) where: Base-Base interactions energy: -1821.333 where: short stacking energy: -758.682 Base-Backbone interact. energy: -4.970 local terms energy: -771.171129 where: bonds (distance) C4'-P energy: -146.353 bonds (distance) P-C4' energy: -145.430 flat angles C4'-P-C4' energy: -162.650 flat angles P-C4'-P energy: -109.858 tors. eta vs tors. theta energy: -206.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2449.435266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.435266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.435266 (E_RNA) where: Base-Base interactions energy: -1714.751 where: short stacking energy: -725.712 Base-Backbone interact. energy: -2.833 local terms energy: -731.851844 where: bonds (distance) C4'-P energy: -135.007 bonds (distance) P-C4' energy: -145.382 flat angles C4'-P-C4' energy: -162.325 flat angles P-C4'-P energy: -98.636 tors. eta vs tors. theta energy: -190.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2308.605229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.605229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.605229 (E_RNA) where: Base-Base interactions energy: -1588.174 where: short stacking energy: -672.212 Base-Backbone interact. energy: -0.806 local terms energy: -719.625664 where: bonds (distance) C4'-P energy: -146.847 bonds (distance) P-C4' energy: -148.169 flat angles C4'-P-C4' energy: -166.831 flat angles P-C4'-P energy: -89.395 tors. eta vs tors. theta energy: -168.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -2358.949035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.949035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.949035 (E_RNA) where: Base-Base interactions energy: -1666.579 where: short stacking energy: -712.551 Base-Backbone interact. energy: 7.319 local terms energy: -699.688735 where: bonds (distance) C4'-P energy: -142.530 bonds (distance) P-C4' energy: -131.565 flat angles C4'-P-C4' energy: -138.229 flat angles P-C4'-P energy: -109.537 tors. eta vs tors. theta energy: -177.827 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: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1857.123924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.123924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.123924 (E_RNA) where: Base-Base interactions energy: -1299.185 where: short stacking energy: -573.680 Base-Backbone interact. energy: -0.555 local terms energy: -557.383925 where: bonds (distance) C4'-P energy: -136.710 bonds (distance) P-C4' energy: -127.632 flat angles C4'-P-C4' energy: -118.037 flat angles P-C4'-P energy: -64.449 tors. eta vs tors. theta energy: -110.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1271.600042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.600042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.600042 (E_RNA) where: Base-Base interactions energy: -789.712 where: short stacking energy: -324.869 Base-Backbone interact. energy: -2.771 local terms energy: -479.117231 where: bonds (distance) C4'-P energy: -109.725 bonds (distance) P-C4' energy: -123.004 flat angles C4'-P-C4' energy: -125.972 flat angles P-C4'-P energy: -89.284 tors. eta vs tors. theta energy: -31.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3011.483212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.483212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.483212 (E_RNA) where: Base-Base interactions energy: -2138.371 where: short stacking energy: -901.878 Base-Backbone interact. energy: -7.578 local terms energy: -865.534705 where: bonds (distance) C4'-P energy: -147.674 bonds (distance) P-C4' energy: -155.257 flat angles C4'-P-C4' energy: -188.038 flat angles P-C4'-P energy: -133.859 tors. eta vs tors. theta energy: -240.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2978.065174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.065174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.065174 (E_RNA) where: Base-Base interactions energy: -2139.011 where: short stacking energy: -868.150 Base-Backbone interact. energy: 0.577 local terms energy: -839.631622 where: bonds (distance) C4'-P energy: -152.791 bonds (distance) P-C4' energy: -159.673 flat angles C4'-P-C4' energy: -182.572 flat angles P-C4'-P energy: -124.207 tors. eta vs tors. theta energy: -220.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2829.684318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.684318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.684318 (E_RNA) where: Base-Base interactions energy: -2010.774 where: short stacking energy: -877.634 Base-Backbone interact. energy: -4.173 local terms energy: -814.736880 where: bonds (distance) C4'-P energy: -138.861 bonds (distance) P-C4' energy: -153.255 flat angles C4'-P-C4' energy: -185.827 flat angles P-C4'-P energy: -104.146 tors. eta vs tors. theta energy: -232.648 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: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2750.623271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.623271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.623271 (E_RNA) where: Base-Base interactions energy: -1971.533 where: short stacking energy: -829.855 Base-Backbone interact. energy: 1.851 local terms energy: -780.940791 where: bonds (distance) C4'-P energy: -136.831 bonds (distance) P-C4' energy: -148.178 flat angles C4'-P-C4' energy: -160.228 flat angles P-C4'-P energy: -99.293 tors. eta vs tors. theta energy: -236.412 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: 381 Temperature: 1.100000 Total energy: -2635.180245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.180245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.180245 (E_RNA) where: Base-Base interactions energy: -1838.827 where: short stacking energy: -801.059 Base-Backbone interact. energy: -0.925 local terms energy: -795.428165 where: bonds (distance) C4'-P energy: -133.434 bonds (distance) P-C4' energy: -162.020 flat angles C4'-P-C4' energy: -157.540 flat angles P-C4'-P energy: -116.050 tors. eta vs tors. theta energy: -226.384 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: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2460.979846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.979846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.979846 (E_RNA) where: Base-Base interactions energy: -1742.353 where: short stacking energy: -737.949 Base-Backbone interact. energy: -1.438 local terms energy: -717.188331 where: bonds (distance) C4'-P energy: -130.380 bonds (distance) P-C4' energy: -142.235 flat angles C4'-P-C4' energy: -159.787 flat angles P-C4'-P energy: -91.197 tors. eta vs tors. theta energy: -193.590 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: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2341.437627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.437627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.437627 (E_RNA) where: Base-Base interactions energy: -1613.432 where: short stacking energy: -688.514 Base-Backbone interact. energy: -0.201 local terms energy: -727.804462 where: bonds (distance) C4'-P energy: -133.695 bonds (distance) P-C4' energy: -133.217 flat angles C4'-P-C4' energy: -161.902 flat angles P-C4'-P energy: -114.031 tors. eta vs tors. theta energy: -184.960 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: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -2347.772864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.772864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.772864 (E_RNA) where: Base-Base interactions energy: -1674.452 where: short stacking energy: -698.297 Base-Backbone interact. energy: -0.206 local terms energy: -673.114483 where: bonds (distance) C4'-P energy: -128.523 bonds (distance) P-C4' energy: -129.882 flat angles C4'-P-C4' energy: -151.228 flat angles P-C4'-P energy: -97.840 tors. eta vs tors. theta energy: -165.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1793.794245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.794245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.794245 (E_RNA) where: Base-Base interactions energy: -1223.039 where: short stacking energy: -538.556 Base-Backbone interact. energy: -0.674 local terms energy: -570.080733 where: bonds (distance) C4'-P energy: -131.379 bonds (distance) P-C4' energy: -117.811 flat angles C4'-P-C4' energy: -135.587 flat angles P-C4'-P energy: -76.577 tors. eta vs tors. theta energy: -108.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1304.807212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.807212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.807212 (E_RNA) where: Base-Base interactions energy: -866.660 where: short stacking energy: -400.199 Base-Backbone interact. energy: 0.750 local terms energy: -438.896971 where: bonds (distance) C4'-P energy: -99.013 bonds (distance) P-C4' energy: -116.203 flat angles C4'-P-C4' energy: -100.804 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: -57.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3053.087428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.087428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.087428 (E_RNA) where: Base-Base interactions energy: -2181.267 where: short stacking energy: -895.067 Base-Backbone interact. energy: -4.367 local terms energy: -867.453482 where: bonds (distance) C4'-P energy: -153.477 bonds (distance) P-C4' energy: -161.613 flat angles C4'-P-C4' energy: -181.924 flat angles P-C4'-P energy: -128.769 tors. eta vs tors. theta energy: -241.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2986.833640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.833640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.833640 (E_RNA) where: Base-Base interactions energy: -2168.407 where: short stacking energy: -872.625 Base-Backbone interact. energy: -4.484 local terms energy: -813.942430 where: bonds (distance) C4'-P energy: -155.779 bonds (distance) P-C4' energy: -151.269 flat angles C4'-P-C4' energy: -170.536 flat angles P-C4'-P energy: -108.405 tors. eta vs tors. theta energy: -227.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2808.142639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.142639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.142639 (E_RNA) where: Base-Base interactions energy: -2007.223 where: short stacking energy: -848.113 Base-Backbone interact. energy: -4.082 local terms energy: -796.836877 where: bonds (distance) C4'-P energy: -156.866 bonds (distance) P-C4' energy: -149.257 flat angles C4'-P-C4' energy: -181.090 flat angles P-C4'-P energy: -100.100 tors. eta vs tors. theta energy: -209.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2744.008166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.008166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.008166 (E_RNA) where: Base-Base interactions energy: -1954.221 where: short stacking energy: -806.496 Base-Backbone interact. energy: -1.177 local terms energy: -788.610354 where: bonds (distance) C4'-P energy: -133.810 bonds (distance) P-C4' energy: -143.184 flat angles C4'-P-C4' energy: -166.355 flat angles P-C4'-P energy: -113.736 tors. eta vs tors. theta energy: -231.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2624.612962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.612962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.612962 (E_RNA) where: Base-Base interactions energy: -1863.673 where: short stacking energy: -817.292 Base-Backbone interact. energy: -3.022 local terms energy: -757.918040 where: bonds (distance) C4'-P energy: -147.580 bonds (distance) P-C4' energy: -138.968 flat angles C4'-P-C4' energy: -156.514 flat angles P-C4'-P energy: -88.039 tors. eta vs tors. theta energy: -226.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2482.135611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.135611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.135611 (E_RNA) where: Base-Base interactions energy: -1746.411 where: short stacking energy: -720.263 Base-Backbone interact. energy: -3.581 local terms energy: -732.143867 where: bonds (distance) C4'-P energy: -139.807 bonds (distance) P-C4' energy: -146.107 flat angles C4'-P-C4' energy: -152.315 flat angles P-C4'-P energy: -94.614 tors. eta vs tors. theta energy: -199.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2380.905425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.905425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.905425 (E_RNA) where: Base-Base interactions energy: -1677.888 where: short stacking energy: -705.716 Base-Backbone interact. energy: 1.321 local terms energy: -704.338305 where: bonds (distance) C4'-P energy: -128.325 bonds (distance) P-C4' energy: -132.487 flat angles C4'-P-C4' energy: -171.826 flat angles P-C4'-P energy: -87.453 tors. eta vs tors. theta energy: -184.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -2216.300567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.300567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.300567 (E_RNA) where: Base-Base interactions energy: -1537.014 where: short stacking energy: -682.399 Base-Backbone interact. energy: -3.108 local terms energy: -676.179215 where: bonds (distance) C4'-P energy: -135.677 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -135.713 flat angles P-C4'-P energy: -90.925 tors. eta vs tors. theta energy: -167.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1782.658634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.658634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.658634 (E_RNA) where: Base-Base interactions energy: -1229.704 where: short stacking energy: -542.550 Base-Backbone interact. energy: -0.121 local terms energy: -552.833893 where: bonds (distance) C4'-P energy: -115.564 bonds (distance) P-C4' energy: -111.178 flat angles C4'-P-C4' energy: -142.839 flat angles P-C4'-P energy: -71.259 tors. eta vs tors. theta energy: -111.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1319.239735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.239735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.239735 (E_RNA) where: Base-Base interactions energy: -859.417 where: short stacking energy: -385.584 Base-Backbone interact. energy: -2.138 local terms energy: -457.685256 where: bonds (distance) C4'-P energy: -117.191 bonds (distance) P-C4' energy: -125.868 flat angles C4'-P-C4' energy: -110.802 flat angles P-C4'-P energy: -64.572 tors. eta vs tors. theta energy: -39.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3036.256461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.256461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.256461 (E_RNA) where: Base-Base interactions energy: -2163.484 where: short stacking energy: -914.161 Base-Backbone interact. energy: -3.657 local terms energy: -869.114908 where: bonds (distance) C4'-P energy: -157.123 bonds (distance) P-C4' energy: -164.313 flat angles C4'-P-C4' energy: -172.878 flat angles P-C4'-P energy: -125.759 tors. eta vs tors. theta energy: -249.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2978.784938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.784938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.784938 (E_RNA) where: Base-Base interactions energy: -2145.296 where: short stacking energy: -853.159 Base-Backbone interact. energy: -5.052 local terms energy: -828.437401 where: bonds (distance) C4'-P energy: -158.195 bonds (distance) P-C4' energy: -163.208 flat angles C4'-P-C4' energy: -173.408 flat angles P-C4'-P energy: -119.867 tors. eta vs tors. theta energy: -213.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2823.987518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.987518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.987518 (E_RNA) where: Base-Base interactions energy: -2013.819 where: short stacking energy: -851.519 Base-Backbone interact. energy: -5.046 local terms energy: -805.123067 where: bonds (distance) C4'-P energy: -135.100 bonds (distance) P-C4' energy: -160.762 flat angles C4'-P-C4' energy: -182.200 flat angles P-C4'-P energy: -110.386 tors. eta vs tors. theta energy: -216.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2731.082887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.082887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.082887 (E_RNA) where: Base-Base interactions energy: -1961.597 where: short stacking energy: -826.133 Base-Backbone interact. energy: -3.976 local terms energy: -765.510752 where: bonds (distance) C4'-P energy: -141.997 bonds (distance) P-C4' energy: -133.364 flat angles C4'-P-C4' energy: -163.320 flat angles P-C4'-P energy: -103.347 tors. eta vs tors. theta energy: -223.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2664.840798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.840798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.840798 (E_RNA) where: Base-Base interactions energy: -1858.623 where: short stacking energy: -812.478 Base-Backbone interact. energy: -2.905 local terms energy: -803.312867 where: bonds (distance) C4'-P energy: -131.048 bonds (distance) P-C4' energy: -163.592 flat angles C4'-P-C4' energy: -165.924 flat angles P-C4'-P energy: -115.697 tors. eta vs tors. theta energy: -227.052 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: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2457.339786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.339786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.339786 (E_RNA) where: Base-Base interactions energy: -1725.070 where: short stacking energy: -743.486 Base-Backbone interact. energy: 6.225 local terms energy: -738.494639 where: bonds (distance) C4'-P energy: -129.642 bonds (distance) P-C4' energy: -152.276 flat angles C4'-P-C4' energy: -174.918 flat angles P-C4'-P energy: -102.480 tors. eta vs tors. theta energy: -179.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2358.562218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.562218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.562218 (E_RNA) where: Base-Base interactions energy: -1677.410 where: short stacking energy: -728.053 Base-Backbone interact. energy: -3.883 local terms energy: -677.268853 where: bonds (distance) C4'-P energy: -108.594 bonds (distance) P-C4' energy: -124.958 flat angles C4'-P-C4' energy: -163.359 flat angles P-C4'-P energy: -115.697 tors. eta vs tors. theta energy: -164.661 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: 8, replica: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -2285.591046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.591046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.591046 (E_RNA) where: Base-Base interactions energy: -1594.900 where: short stacking energy: -711.616 Base-Backbone interact. energy: -1.116 local terms energy: -689.575125 where: bonds (distance) C4'-P energy: -104.350 bonds (distance) P-C4' energy: -133.658 flat angles C4'-P-C4' energy: -153.167 flat angles P-C4'-P energy: -104.947 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: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1825.997658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.997658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.997658 (E_RNA) where: Base-Base interactions energy: -1210.035 where: short stacking energy: -519.221 Base-Backbone interact. energy: 0.383 local terms energy: -616.345384 where: bonds (distance) C4'-P energy: -145.883 bonds (distance) P-C4' energy: -128.286 flat angles C4'-P-C4' energy: -139.519 flat angles P-C4'-P energy: -93.922 tors. eta vs tors. theta energy: -108.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1476.575125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.575125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.575125 (E_RNA) where: Base-Base interactions energy: -965.900 where: short stacking energy: -433.198 Base-Backbone interact. energy: 6.388 local terms energy: -517.063964 where: bonds (distance) C4'-P energy: -122.393 bonds (distance) P-C4' energy: -140.908 flat angles C4'-P-C4' energy: -102.162 flat angles P-C4'-P energy: -70.886 tors. eta vs tors. theta energy: -80.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3059.607445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.607445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.607445 (E_RNA) where: Base-Base interactions energy: -2200.241 where: short stacking energy: -889.985 Base-Backbone interact. energy: -9.585 local terms energy: -849.781835 where: bonds (distance) C4'-P energy: -148.226 bonds (distance) P-C4' energy: -162.920 flat angles C4'-P-C4' energy: -180.245 flat angles P-C4'-P energy: -133.411 tors. eta vs tors. theta energy: -224.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2992.510668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.510668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.510668 (E_RNA) where: Base-Base interactions energy: -2126.459 where: short stacking energy: -872.739 Base-Backbone interact. energy: -2.099 local terms energy: -863.952467 where: bonds (distance) C4'-P energy: -167.817 bonds (distance) P-C4' energy: -151.819 flat angles C4'-P-C4' energy: -176.746 flat angles P-C4'-P energy: -127.325 tors. eta vs tors. theta energy: -240.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2796.942684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.942684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.942684 (E_RNA) where: Base-Base interactions energy: -2002.918 where: short stacking energy: -849.702 Base-Backbone interact. energy: -0.460 local terms energy: -793.564272 where: bonds (distance) C4'-P energy: -143.279 bonds (distance) P-C4' energy: -149.936 flat angles C4'-P-C4' energy: -164.962 flat angles P-C4'-P energy: -108.606 tors. eta vs tors. theta energy: -226.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2755.997475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.997475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.997475 (E_RNA) where: Base-Base interactions energy: -1970.258 where: short stacking energy: -809.474 Base-Backbone interact. energy: -4.681 local terms energy: -781.059138 where: bonds (distance) C4'-P energy: -141.588 bonds (distance) P-C4' energy: -146.378 flat angles C4'-P-C4' energy: -166.287 flat angles P-C4'-P energy: -116.440 tors. eta vs tors. theta energy: -210.366 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: 384 Temperature: 1.100000 Total energy: -2658.742012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.742012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.742012 (E_RNA) where: Base-Base interactions energy: -1890.266 where: short stacking energy: -811.291 Base-Backbone interact. energy: -4.468 local terms energy: -764.008162 where: bonds (distance) C4'-P energy: -152.775 bonds (distance) P-C4' energy: -136.980 flat angles C4'-P-C4' energy: -167.194 flat angles P-C4'-P energy: -86.224 tors. eta vs tors. theta energy: -220.835 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: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2426.000176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.000176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.000176 (E_RNA) where: Base-Base interactions energy: -1705.794 where: short stacking energy: -715.857 Base-Backbone interact. energy: -2.489 local terms energy: -717.716694 where: bonds (distance) C4'-P energy: -148.204 bonds (distance) P-C4' energy: -156.376 flat angles C4'-P-C4' energy: -156.841 flat angles P-C4'-P energy: -90.311 tors. eta vs tors. theta energy: -165.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2318.860895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.860895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.860895 (E_RNA) where: Base-Base interactions energy: -1638.382 where: short stacking energy: -690.534 Base-Backbone interact. energy: 3.892 local terms energy: -684.371751 where: bonds (distance) C4'-P energy: -128.198 bonds (distance) P-C4' energy: -136.295 flat angles C4'-P-C4' energy: -146.273 flat angles P-C4'-P energy: -107.455 tors. eta vs tors. theta energy: -166.151 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: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -2262.743591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.743591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.743591 (E_RNA) where: Base-Base interactions energy: -1602.912 where: short stacking energy: -683.337 Base-Backbone interact. energy: 4.650 local terms energy: -664.481394 where: bonds (distance) C4'-P energy: -109.977 bonds (distance) P-C4' energy: -149.533 flat angles C4'-P-C4' energy: -112.392 flat angles P-C4'-P energy: -96.997 tors. eta vs tors. theta energy: -195.582 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: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1816.568014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.568014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.568014 (E_RNA) where: Base-Base interactions energy: -1257.757 where: short stacking energy: -551.344 Base-Backbone interact. energy: -1.263 local terms energy: -557.548241 where: bonds (distance) C4'-P energy: -97.992 bonds (distance) P-C4' energy: -110.610 flat angles C4'-P-C4' energy: -143.306 flat angles P-C4'-P energy: -88.876 tors. eta vs tors. theta energy: -116.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1415.859207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.859207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.859207 (E_RNA) where: Base-Base interactions energy: -912.655 where: short stacking energy: -427.046 Base-Backbone interact. energy: 4.099 local terms energy: -507.303806 where: bonds (distance) C4'-P energy: -115.988 bonds (distance) P-C4' energy: -128.636 flat angles C4'-P-C4' energy: -121.695 flat angles P-C4'-P energy: -81.032 tors. eta vs tors. theta energy: -59.952 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: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3034.773588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.773588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.773588 (E_RNA) where: Base-Base interactions energy: -2190.016 where: short stacking energy: -894.942 Base-Backbone interact. energy: -3.601 local terms energy: -841.156474 where: bonds (distance) C4'-P energy: -145.787 bonds (distance) P-C4' energy: -161.875 flat angles C4'-P-C4' energy: -184.274 flat angles P-C4'-P energy: -117.900 tors. eta vs tors. theta energy: -231.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2979.436812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.436812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.436812 (E_RNA) where: Base-Base interactions energy: -2111.337 where: short stacking energy: -893.523 Base-Backbone interact. energy: -7.837 local terms energy: -860.262393 where: bonds (distance) C4'-P energy: -156.057 bonds (distance) P-C4' energy: -154.330 flat angles C4'-P-C4' energy: -180.015 flat angles P-C4'-P energy: -116.017 tors. eta vs tors. theta energy: -253.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2804.461582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.461582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.461582 (E_RNA) where: Base-Base interactions energy: -2000.521 where: short stacking energy: -842.606 Base-Backbone interact. energy: -5.781 local terms energy: -798.160080 where: bonds (distance) C4'-P energy: -150.747 bonds (distance) P-C4' energy: -143.904 flat angles C4'-P-C4' energy: -177.810 flat angles P-C4'-P energy: -97.423 tors. eta vs tors. theta energy: -228.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2720.787144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.787144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.787144 (E_RNA) where: Base-Base interactions energy: -1951.118 where: short stacking energy: -796.311 Base-Backbone interact. energy: -2.995 local terms energy: -766.674368 where: bonds (distance) C4'-P energy: -134.681 bonds (distance) P-C4' energy: -151.673 flat angles C4'-P-C4' energy: -182.965 flat angles P-C4'-P energy: -100.179 tors. eta vs tors. theta energy: -197.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2673.265843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.265843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.265843 (E_RNA) where: Base-Base interactions energy: -1855.506 where: short stacking energy: -796.829 Base-Backbone interact. energy: -0.172 local terms energy: -817.588186 where: bonds (distance) C4'-P energy: -160.351 bonds (distance) P-C4' energy: -155.289 flat angles C4'-P-C4' energy: -179.728 flat angles P-C4'-P energy: -104.947 tors. eta vs tors. theta energy: -217.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2424.182896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.182896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.182896 (E_RNA) where: Base-Base interactions energy: -1722.301 where: short stacking energy: -729.051 Base-Backbone interact. energy: -4.335 local terms energy: -697.546703 where: bonds (distance) C4'-P energy: -118.236 bonds (distance) P-C4' energy: -154.348 flat angles C4'-P-C4' energy: -163.388 flat angles P-C4'-P energy: -88.353 tors. eta vs tors. theta energy: -173.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2444.985132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.985132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.985132 (E_RNA) where: Base-Base interactions energy: -1781.085 where: short stacking energy: -733.370 Base-Backbone interact. energy: 2.778 local terms energy: -666.678171 where: bonds (distance) C4'-P energy: -103.876 bonds (distance) P-C4' energy: -136.035 flat angles C4'-P-C4' energy: -140.817 flat angles P-C4'-P energy: -110.630 tors. eta vs tors. theta energy: -175.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -2216.429606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.429606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.429606 (E_RNA) where: Base-Base interactions energy: -1554.553 where: short stacking energy: -668.542 Base-Backbone interact. energy: -1.326 local terms energy: -660.550729 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -123.299 flat angles C4'-P-C4' energy: -161.843 flat angles P-C4'-P energy: -69.183 tors. eta vs tors. theta energy: -174.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1810.757435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.757435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.757435 (E_RNA) where: Base-Base interactions energy: -1220.328 where: short stacking energy: -549.550 Base-Backbone interact. energy: 4.706 local terms energy: -595.135686 where: bonds (distance) C4'-P energy: -137.435 bonds (distance) P-C4' energy: -113.975 flat angles C4'-P-C4' energy: -138.157 flat angles P-C4'-P energy: -95.659 tors. eta vs tors. theta energy: -109.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1509.241147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.241147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.241147 (E_RNA) where: Base-Base interactions energy: -981.613 where: short stacking energy: -444.665 Base-Backbone interact. energy: -4.960 local terms energy: -522.668526 where: bonds (distance) C4'-P energy: -117.313 bonds (distance) P-C4' energy: -130.867 flat angles C4'-P-C4' energy: -130.308 flat angles P-C4'-P energy: -68.522 tors. eta vs tors. theta energy: -75.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3041.379021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.379021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.379021 (E_RNA) where: Base-Base interactions energy: -2186.651 where: short stacking energy: -872.554 Base-Backbone interact. energy: -1.146 local terms energy: -853.582756 where: bonds (distance) C4'-P energy: -159.008 bonds (distance) P-C4' energy: -160.450 flat angles C4'-P-C4' energy: -189.587 flat angles P-C4'-P energy: -119.935 tors. eta vs tors. theta energy: -224.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2949.340345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.340345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.340345 (E_RNA) where: Base-Base interactions energy: -2090.557 where: short stacking energy: -866.104 Base-Backbone interact. energy: -5.845 local terms energy: -852.938157 where: bonds (distance) C4'-P energy: -148.439 bonds (distance) P-C4' energy: -151.269 flat angles C4'-P-C4' energy: -186.014 flat angles P-C4'-P energy: -134.939 tors. eta vs tors. theta energy: -232.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2802.758814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.758814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.758814 (E_RNA) where: Base-Base interactions energy: -1987.361 where: short stacking energy: -830.393 Base-Backbone interact. energy: -5.154 local terms energy: -810.243769 where: bonds (distance) C4'-P energy: -140.905 bonds (distance) P-C4' energy: -158.048 flat angles C4'-P-C4' energy: -178.208 flat angles P-C4'-P energy: -107.150 tors. eta vs tors. theta energy: -225.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2698.515922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.515922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.515922 (E_RNA) where: Base-Base interactions energy: -1905.044 where: short stacking energy: -811.582 Base-Backbone interact. energy: 1.404 local terms energy: -794.875851 where: bonds (distance) C4'-P energy: -136.270 bonds (distance) P-C4' energy: -155.356 flat angles C4'-P-C4' energy: -168.322 flat angles P-C4'-P energy: -111.857 tors. eta vs tors. theta energy: -223.071 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: 386 Temperature: 1.100000 Total energy: -2680.985124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.985124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.985124 (E_RNA) where: Base-Base interactions energy: -1886.376 where: short stacking energy: -814.165 Base-Backbone interact. energy: -2.797 local terms energy: -791.812151 where: bonds (distance) C4'-P energy: -122.533 bonds (distance) P-C4' energy: -166.833 flat angles C4'-P-C4' energy: -173.481 flat angles P-C4'-P energy: -107.625 tors. eta vs tors. theta energy: -221.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2488.430292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.430292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.430292 (E_RNA) where: Base-Base interactions energy: -1762.416 where: short stacking energy: -730.185 Base-Backbone interact. energy: -0.356 local terms energy: -725.658253 where: bonds (distance) C4'-P energy: -136.807 bonds (distance) P-C4' energy: -138.743 flat angles C4'-P-C4' energy: -159.923 flat angles P-C4'-P energy: -99.724 tors. eta vs tors. theta energy: -190.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2414.685083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.685083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.685083 (E_RNA) where: Base-Base interactions energy: -1730.670 where: short stacking energy: -717.348 Base-Backbone interact. energy: -0.776 local terms energy: -683.239026 where: bonds (distance) C4'-P energy: -130.135 bonds (distance) P-C4' energy: -129.654 flat angles C4'-P-C4' energy: -152.163 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -173.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -2185.274913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.274913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.274913 (E_RNA) where: Base-Base interactions energy: -1516.628 where: short stacking energy: -653.340 Base-Backbone interact. energy: -3.174 local terms energy: -665.472278 where: bonds (distance) C4'-P energy: -136.877 bonds (distance) P-C4' energy: -123.241 flat angles C4'-P-C4' energy: -156.779 flat angles P-C4'-P energy: -99.332 tors. eta vs tors. theta energy: -149.244 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: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1790.955069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.955069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.955069 (E_RNA) where: Base-Base interactions energy: -1198.666 where: short stacking energy: -534.455 Base-Backbone interact. energy: -1.331 local terms energy: -590.958708 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -138.385 flat angles C4'-P-C4' energy: -149.516 flat angles P-C4'-P energy: -69.655 tors. eta vs tors. theta energy: -111.337 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: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1358.570938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.570938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.570938 (E_RNA) where: Base-Base interactions energy: -872.366 where: short stacking energy: -416.223 Base-Backbone interact. energy: -1.906 local terms energy: -484.298627 where: bonds (distance) C4'-P energy: -103.104 bonds (distance) P-C4' energy: -131.353 flat angles C4'-P-C4' energy: -115.239 flat angles P-C4'-P energy: -75.063 tors. eta vs tors. theta energy: -59.539 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: 387 Temperature: 0.900000 Total energy: -3039.193753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.193753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.193753 (E_RNA) where: Base-Base interactions energy: -2167.767 where: short stacking energy: -885.287 Base-Backbone interact. energy: -5.677 local terms energy: -865.750523 where: bonds (distance) C4'-P energy: -169.833 bonds (distance) P-C4' energy: -172.790 flat angles C4'-P-C4' energy: -175.518 flat angles P-C4'-P energy: -108.362 tors. eta vs tors. theta energy: -239.248 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: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2939.407425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.407425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.407425 (E_RNA) where: Base-Base interactions energy: -2072.115 where: short stacking energy: -842.597 Base-Backbone interact. energy: -6.469 local terms energy: -860.823166 where: bonds (distance) C4'-P energy: -155.673 bonds (distance) P-C4' energy: -160.287 flat angles C4'-P-C4' energy: -178.855 flat angles P-C4'-P energy: -118.512 tors. eta vs tors. theta energy: -247.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2761.917895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.917895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.917895 (E_RNA) where: Base-Base interactions energy: -1965.520 where: short stacking energy: -831.628 Base-Backbone interact. energy: -3.186 local terms energy: -793.211730 where: bonds (distance) C4'-P energy: -149.548 bonds (distance) P-C4' energy: -138.298 flat angles C4'-P-C4' energy: -173.368 flat angles P-C4'-P energy: -124.506 tors. eta vs tors. theta energy: -207.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2710.742029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.742029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.742029 (E_RNA) where: Base-Base interactions energy: -1936.486 where: short stacking energy: -820.957 Base-Backbone interact. energy: -3.679 local terms energy: -770.577426 where: bonds (distance) C4'-P energy: -119.257 bonds (distance) P-C4' energy: -135.438 flat angles C4'-P-C4' energy: -182.531 flat angles P-C4'-P energy: -117.324 tors. eta vs tors. theta energy: -216.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2667.527317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.527317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.527317 (E_RNA) where: Base-Base interactions energy: -1882.550 where: short stacking energy: -791.694 Base-Backbone interact. energy: -1.889 local terms energy: -783.088801 where: bonds (distance) C4'-P energy: -149.359 bonds (distance) P-C4' energy: -137.178 flat angles C4'-P-C4' energy: -169.842 flat angles P-C4'-P energy: -122.768 tors. eta vs tors. theta energy: -203.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2460.882053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.882053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.882053 (E_RNA) where: Base-Base interactions energy: -1795.340 where: short stacking energy: -746.847 Base-Backbone interact. energy: -1.421 local terms energy: -664.120877 where: bonds (distance) C4'-P energy: -129.926 bonds (distance) P-C4' energy: -118.381 flat angles C4'-P-C4' energy: -157.135 flat angles P-C4'-P energy: -82.862 tors. eta vs tors. theta energy: -175.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2425.435440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.435440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.435440 (E_RNA) where: Base-Base interactions energy: -1726.934 where: short stacking energy: -722.993 Base-Backbone interact. energy: -0.896 local terms energy: -697.605873 where: bonds (distance) C4'-P energy: -141.535 bonds (distance) P-C4' energy: -136.062 flat angles C4'-P-C4' energy: -155.302 flat angles P-C4'-P energy: -100.048 tors. eta vs tors. theta energy: -164.658 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: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -2192.181436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.181436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.181436 (E_RNA) where: Base-Base interactions energy: -1524.058 where: short stacking energy: -656.649 Base-Backbone interact. energy: -3.578 local terms energy: -664.545439 where: bonds (distance) C4'-P energy: -112.357 bonds (distance) P-C4' energy: -129.344 flat angles C4'-P-C4' energy: -159.321 flat angles P-C4'-P energy: -105.487 tors. eta vs tors. theta energy: -158.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1806.864439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.864439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.864439 (E_RNA) where: Base-Base interactions energy: -1245.428 where: short stacking energy: -538.879 Base-Backbone interact. energy: -3.181 local terms energy: -558.255636 where: bonds (distance) C4'-P energy: -115.479 bonds (distance) P-C4' energy: -105.810 flat angles C4'-P-C4' energy: -148.965 flat angles P-C4'-P energy: -73.604 tors. eta vs tors. theta energy: -114.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1395.184710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.184710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.184710 (E_RNA) where: Base-Base interactions energy: -911.638 where: short stacking energy: -411.933 Base-Backbone interact. energy: -0.006 local terms energy: -483.540669 where: bonds (distance) C4'-P energy: -112.474 bonds (distance) P-C4' energy: -135.142 flat angles C4'-P-C4' energy: -106.831 flat angles P-C4'-P energy: -66.569 tors. eta vs tors. theta energy: -62.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3024.400454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.400454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.400454 (E_RNA) where: Base-Base interactions energy: -2162.739 where: short stacking energy: -877.372 Base-Backbone interact. energy: -5.602 local terms energy: -856.059173 where: bonds (distance) C4'-P energy: -145.850 bonds (distance) P-C4' energy: -174.325 flat angles C4'-P-C4' energy: -190.201 flat angles P-C4'-P energy: -114.195 tors. eta vs tors. theta energy: -231.488 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: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2932.061389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.061389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.061389 (E_RNA) where: Base-Base interactions energy: -2080.415 where: short stacking energy: -870.780 Base-Backbone interact. energy: 2.077 local terms energy: -853.723523 where: bonds (distance) C4'-P energy: -133.990 bonds (distance) P-C4' energy: -164.309 flat angles C4'-P-C4' energy: -188.203 flat angles P-C4'-P energy: -130.357 tors. eta vs tors. theta energy: -236.865 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: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2802.207423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.207423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.207423 (E_RNA) where: Base-Base interactions energy: -1976.224 where: short stacking energy: -860.323 Base-Backbone interact. energy: -3.507 local terms energy: -822.476656 where: bonds (distance) C4'-P energy: -138.667 bonds (distance) P-C4' energy: -143.604 flat angles C4'-P-C4' energy: -167.011 flat angles P-C4'-P energy: -132.173 tors. eta vs tors. theta energy: -241.022 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: 4, replica: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2753.547132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.547132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.547132 (E_RNA) where: Base-Base interactions energy: -1990.018 where: short stacking energy: -853.288 Base-Backbone interact. energy: 0.580 local terms energy: -764.108492 where: bonds (distance) C4'-P energy: -140.691 bonds (distance) P-C4' energy: -122.137 flat angles C4'-P-C4' energy: -182.564 flat angles P-C4'-P energy: -104.770 tors. eta vs tors. theta energy: -213.947 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: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2622.321715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.321715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.321715 (E_RNA) where: Base-Base interactions energy: -1890.120 where: short stacking energy: -753.983 Base-Backbone interact. energy: 0.563 local terms energy: -732.764132 where: bonds (distance) C4'-P energy: -114.762 bonds (distance) P-C4' energy: -137.908 flat angles C4'-P-C4' energy: -171.047 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -197.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2429.813262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.813262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.813262 (E_RNA) where: Base-Base interactions energy: -1712.495 where: short stacking energy: -737.506 Base-Backbone interact. energy: -2.385 local terms energy: -714.933067 where: bonds (distance) C4'-P energy: -130.671 bonds (distance) P-C4' energy: -152.701 flat angles C4'-P-C4' energy: -155.374 flat angles P-C4'-P energy: -102.731 tors. eta vs tors. theta energy: -173.455 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: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2433.600648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.600648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.600648 (E_RNA) where: Base-Base interactions energy: -1724.902 where: short stacking energy: -711.755 Base-Backbone interact. energy: -2.529 local terms energy: -706.169156 where: bonds (distance) C4'-P energy: -119.904 bonds (distance) P-C4' energy: -131.354 flat angles C4'-P-C4' energy: -168.346 flat angles P-C4'-P energy: -88.003 tors. eta vs tors. theta energy: -198.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2140.815660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.815660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.815660 (E_RNA) where: Base-Base interactions energy: -1501.830 where: short stacking energy: -682.863 Base-Backbone interact. energy: -3.050 local terms energy: -635.935992 where: bonds (distance) C4'-P energy: -116.454 bonds (distance) P-C4' energy: -128.861 flat angles C4'-P-C4' energy: -148.047 flat angles P-C4'-P energy: -87.323 tors. eta vs tors. theta energy: -155.251 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: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1813.730902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.730902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.730902 (E_RNA) where: Base-Base interactions energy: -1207.282 where: short stacking energy: -539.788 Base-Backbone interact. energy: 0.799 local terms energy: -607.248370 where: bonds (distance) C4'-P energy: -126.349 bonds (distance) P-C4' energy: -128.797 flat angles C4'-P-C4' energy: -136.575 flat angles P-C4'-P energy: -96.894 tors. eta vs tors. theta energy: -118.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1433.480999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.480999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.480999 (E_RNA) where: Base-Base interactions energy: -949.368 where: short stacking energy: -448.600 Base-Backbone interact. energy: 0.928 local terms energy: -485.041546 where: bonds (distance) C4'-P energy: -106.753 bonds (distance) P-C4' energy: -113.132 flat angles C4'-P-C4' energy: -124.620 flat angles P-C4'-P energy: -52.575 tors. eta vs tors. theta energy: -87.962 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: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3048.847942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.847942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.847942 (E_RNA) where: Base-Base interactions energy: -2158.044 where: short stacking energy: -891.584 Base-Backbone interact. energy: -8.217 local terms energy: -882.586173 where: bonds (distance) C4'-P energy: -170.056 bonds (distance) P-C4' energy: -174.997 flat angles C4'-P-C4' energy: -181.610 flat angles P-C4'-P energy: -128.984 tors. eta vs tors. theta energy: -226.940 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: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2939.362005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.362005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.362005 (E_RNA) where: Base-Base interactions energy: -2080.578 where: short stacking energy: -911.367 Base-Backbone interact. energy: -3.305 local terms energy: -855.479387 where: bonds (distance) C4'-P energy: -145.894 bonds (distance) P-C4' energy: -166.853 flat angles C4'-P-C4' energy: -174.663 flat angles P-C4'-P energy: -122.621 tors. eta vs tors. theta energy: -245.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2788.966523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.966523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.966523 (E_RNA) where: Base-Base interactions energy: -1979.298 where: short stacking energy: -834.524 Base-Backbone interact. energy: -4.351 local terms energy: -805.317544 where: bonds (distance) C4'-P energy: -150.701 bonds (distance) P-C4' energy: -145.870 flat angles C4'-P-C4' energy: -175.357 flat angles P-C4'-P energy: -109.234 tors. eta vs tors. theta energy: -224.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2729.143232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.143232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.143232 (E_RNA) where: Base-Base interactions energy: -1938.286 where: short stacking energy: -841.069 Base-Backbone interact. energy: -2.297 local terms energy: -788.560204 where: bonds (distance) C4'-P energy: -134.712 bonds (distance) P-C4' energy: -150.416 flat angles C4'-P-C4' energy: -184.672 flat angles P-C4'-P energy: -99.676 tors. eta vs tors. theta energy: -219.084 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: 10 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2646.520482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.520482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.520482 (E_RNA) where: Base-Base interactions energy: -1867.791 where: short stacking energy: -747.274 Base-Backbone interact. energy: -3.040 local terms energy: -775.690041 where: bonds (distance) C4'-P energy: -144.706 bonds (distance) P-C4' energy: -158.683 flat angles C4'-P-C4' energy: -166.969 flat angles P-C4'-P energy: -111.141 tors. eta vs tors. theta energy: -194.191 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: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2491.356948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.356948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.356948 (E_RNA) where: Base-Base interactions energy: -1797.402 where: short stacking energy: -753.883 Base-Backbone interact. energy: 1.350 local terms energy: -695.305077 where: bonds (distance) C4'-P energy: -124.058 bonds (distance) P-C4' energy: -151.756 flat angles C4'-P-C4' energy: -147.052 flat angles P-C4'-P energy: -101.085 tors. eta vs tors. theta energy: -171.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2357.478443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.478443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.478443 (E_RNA) where: Base-Base interactions energy: -1679.732 where: short stacking energy: -711.273 Base-Backbone interact. energy: 3.617 local terms energy: -681.363922 where: bonds (distance) C4'-P energy: -134.153 bonds (distance) P-C4' energy: -131.423 flat angles C4'-P-C4' energy: -144.651 flat angles P-C4'-P energy: -101.872 tors. eta vs tors. theta energy: -169.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -2155.741897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.741897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.741897 (E_RNA) where: Base-Base interactions energy: -1503.252 where: short stacking energy: -627.536 Base-Backbone interact. energy: -0.990 local terms energy: -651.500180 where: bonds (distance) C4'-P energy: -131.820 bonds (distance) P-C4' energy: -137.605 flat angles C4'-P-C4' energy: -144.694 flat angles P-C4'-P energy: -87.765 tors. eta vs tors. theta energy: -149.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1881.544282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.544282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.544282 (E_RNA) where: Base-Base interactions energy: -1272.254 where: short stacking energy: -572.269 Base-Backbone interact. energy: 3.065 local terms energy: -612.355151 where: bonds (distance) C4'-P energy: -111.321 bonds (distance) P-C4' energy: -135.974 flat angles C4'-P-C4' energy: -159.753 flat angles P-C4'-P energy: -72.863 tors. eta vs tors. theta energy: -132.444 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: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1367.537421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.537421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.537421 (E_RNA) where: Base-Base interactions energy: -915.653 where: short stacking energy: -396.910 Base-Backbone interact. energy: -2.269 local terms energy: -449.615278 where: bonds (distance) C4'-P energy: -103.544 bonds (distance) P-C4' energy: -115.169 flat angles C4'-P-C4' energy: -105.188 flat angles P-C4'-P energy: -78.976 tors. eta vs tors. theta energy: -46.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3053.672127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.672127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.672127 (E_RNA) where: Base-Base interactions energy: -2190.234 where: short stacking energy: -891.747 Base-Backbone interact. energy: -2.880 local terms energy: -860.558114 where: bonds (distance) C4'-P energy: -151.878 bonds (distance) P-C4' energy: -162.639 flat angles C4'-P-C4' energy: -184.691 flat angles P-C4'-P energy: -127.452 tors. eta vs tors. theta energy: -233.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2930.872903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.872903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.872903 (E_RNA) where: Base-Base interactions energy: -2079.963 where: short stacking energy: -893.725 Base-Backbone interact. energy: -5.417 local terms energy: -845.493806 where: bonds (distance) C4'-P energy: -151.399 bonds (distance) P-C4' energy: -157.414 flat angles C4'-P-C4' energy: -181.715 flat angles P-C4'-P energy: -121.334 tors. eta vs tors. theta energy: -233.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2807.830321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.830321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.830321 (E_RNA) where: Base-Base interactions energy: -1986.800 where: short stacking energy: -824.370 Base-Backbone interact. energy: -3.200 local terms energy: -817.829948 where: bonds (distance) C4'-P energy: -143.590 bonds (distance) P-C4' energy: -157.275 flat angles C4'-P-C4' energy: -174.696 flat angles P-C4'-P energy: -115.062 tors. eta vs tors. theta energy: -227.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2685.939318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.939318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.939318 (E_RNA) where: Base-Base interactions energy: -1926.741 where: short stacking energy: -816.215 Base-Backbone interact. energy: -3.060 local terms energy: -756.138934 where: bonds (distance) C4'-P energy: -135.603 bonds (distance) P-C4' energy: -140.257 flat angles C4'-P-C4' energy: -161.007 flat angles P-C4'-P energy: -101.459 tors. eta vs tors. theta energy: -217.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2588.112340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.112340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.112340 (E_RNA) where: Base-Base interactions energy: -1867.173 where: short stacking energy: -774.520 Base-Backbone interact. energy: 0.292 local terms energy: -721.231596 where: bonds (distance) C4'-P energy: -114.208 bonds (distance) P-C4' energy: -145.811 flat angles C4'-P-C4' energy: -161.499 flat angles P-C4'-P energy: -110.650 tors. eta vs tors. theta energy: -189.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2544.971593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.971593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.971593 (E_RNA) where: Base-Base interactions energy: -1822.633 where: short stacking energy: -757.460 Base-Backbone interact. energy: -1.331 local terms energy: -721.007211 where: bonds (distance) C4'-P energy: -121.397 bonds (distance) P-C4' energy: -150.404 flat angles C4'-P-C4' energy: -158.494 flat angles P-C4'-P energy: -99.622 tors. eta vs tors. theta energy: -191.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2439.854956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.854956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.854956 (E_RNA) where: Base-Base interactions energy: -1738.785 where: short stacking energy: -739.711 Base-Backbone interact. energy: 1.173 local terms energy: -702.243557 where: bonds (distance) C4'-P energy: -125.890 bonds (distance) P-C4' energy: -125.107 flat angles C4'-P-C4' energy: -151.683 flat angles P-C4'-P energy: -106.121 tors. eta vs tors. theta energy: -193.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -2186.552231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.552231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.552231 (E_RNA) where: Base-Base interactions energy: -1522.935 where: short stacking energy: -669.374 Base-Backbone interact. energy: 0.777 local terms energy: -664.394268 where: bonds (distance) C4'-P energy: -122.089 bonds (distance) P-C4' energy: -133.386 flat angles C4'-P-C4' energy: -148.264 flat angles P-C4'-P energy: -85.548 tors. eta vs tors. theta energy: -175.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1844.520408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.520408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.520408 (E_RNA) where: Base-Base interactions energy: -1262.925 where: short stacking energy: -550.765 Base-Backbone interact. energy: 1.581 local terms energy: -583.176056 where: bonds (distance) C4'-P energy: -103.110 bonds (distance) P-C4' energy: -139.670 flat angles C4'-P-C4' energy: -145.890 flat angles P-C4'-P energy: -94.981 tors. eta vs tors. theta energy: -99.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1389.494285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.494285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.494285 (E_RNA) where: Base-Base interactions energy: -898.195 where: short stacking energy: -383.676 Base-Backbone interact. energy: -0.802 local terms energy: -490.497603 where: bonds (distance) C4'-P energy: -118.340 bonds (distance) P-C4' energy: -119.578 flat angles C4'-P-C4' energy: -116.102 flat angles P-C4'-P energy: -88.956 tors. eta vs tors. theta energy: -47.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3044.223205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.223205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.223205 (E_RNA) where: Base-Base interactions energy: -2165.043 where: short stacking energy: -890.338 Base-Backbone interact. energy: -3.669 local terms energy: -875.510983 where: bonds (distance) C4'-P energy: -156.554 bonds (distance) P-C4' energy: -166.793 flat angles C4'-P-C4' energy: -186.891 flat angles P-C4'-P energy: -128.714 tors. eta vs tors. theta energy: -236.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2961.617258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.617258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.617258 (E_RNA) where: Base-Base interactions energy: -2121.962 where: short stacking energy: -886.646 Base-Backbone interact. energy: -4.067 local terms energy: -835.587383 where: bonds (distance) C4'-P energy: -150.679 bonds (distance) P-C4' energy: -154.482 flat angles C4'-P-C4' energy: -174.202 flat angles P-C4'-P energy: -114.428 tors. eta vs tors. theta energy: -241.796 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: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2822.159213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.159213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.159213 (E_RNA) where: Base-Base interactions energy: -1996.430 where: short stacking energy: -869.826 Base-Backbone interact. energy: -1.420 local terms energy: -824.309327 where: bonds (distance) C4'-P energy: -143.671 bonds (distance) P-C4' energy: -147.670 flat angles C4'-P-C4' energy: -186.408 flat angles P-C4'-P energy: -115.400 tors. eta vs tors. theta energy: -231.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2753.294718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.294718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.294718 (E_RNA) where: Base-Base interactions energy: -1967.940 where: short stacking energy: -825.479 Base-Backbone interact. energy: -4.819 local terms energy: -780.536142 where: bonds (distance) C4'-P energy: -131.399 bonds (distance) P-C4' energy: -145.448 flat angles C4'-P-C4' energy: -167.009 flat angles P-C4'-P energy: -118.532 tors. eta vs tors. theta energy: -218.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2593.283457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.283457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.283457 (E_RNA) where: Base-Base interactions energy: -1821.135 where: short stacking energy: -763.165 Base-Backbone interact. energy: 0.129 local terms energy: -772.277610 where: bonds (distance) C4'-P energy: -151.640 bonds (distance) P-C4' energy: -128.717 flat angles C4'-P-C4' energy: -173.952 flat angles P-C4'-P energy: -122.179 tors. eta vs tors. theta energy: -195.790 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: 391 Temperature: 1.150000 Total energy: -2505.447446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.447446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.447446 (E_RNA) where: Base-Base interactions energy: -1802.568 where: short stacking energy: -733.401 Base-Backbone interact. energy: -1.449 local terms energy: -701.430986 where: bonds (distance) C4'-P energy: -122.668 bonds (distance) P-C4' energy: -145.122 flat angles C4'-P-C4' energy: -146.965 flat angles P-C4'-P energy: -104.190 tors. eta vs tors. theta energy: -182.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2403.447246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.447246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.447246 (E_RNA) where: Base-Base interactions energy: -1683.292 where: short stacking energy: -694.281 Base-Backbone interact. energy: -2.224 local terms energy: -717.931156 where: bonds (distance) C4'-P energy: -145.618 bonds (distance) P-C4' energy: -133.088 flat angles C4'-P-C4' energy: -165.020 flat angles P-C4'-P energy: -94.337 tors. eta vs tors. theta energy: -179.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -2146.888687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.888687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.888687 (E_RNA) where: Base-Base interactions energy: -1496.821 where: short stacking energy: -663.621 Base-Backbone interact. energy: -2.891 local terms energy: -647.176571 where: bonds (distance) C4'-P energy: -110.347 bonds (distance) P-C4' energy: -126.080 flat angles C4'-P-C4' energy: -150.478 flat angles P-C4'-P energy: -92.768 tors. eta vs tors. theta energy: -167.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1822.381984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.381984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.381984 (E_RNA) where: Base-Base interactions energy: -1209.397 where: short stacking energy: -537.589 Base-Backbone interact. energy: -1.958 local terms energy: -611.027434 where: bonds (distance) C4'-P energy: -129.492 bonds (distance) P-C4' energy: -130.123 flat angles C4'-P-C4' energy: -149.069 flat angles P-C4'-P energy: -83.072 tors. eta vs tors. theta energy: -119.271 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: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1450.649640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.649640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.649640 (E_RNA) where: Base-Base interactions energy: -936.900 where: short stacking energy: -429.727 Base-Backbone interact. energy: -0.172 local terms energy: -513.577555 where: bonds (distance) C4'-P energy: -131.851 bonds (distance) P-C4' energy: -119.177 flat angles C4'-P-C4' energy: -131.747 flat angles P-C4'-P energy: -58.028 tors. eta vs tors. theta energy: -72.774 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: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3066.635529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.635529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.635529 (E_RNA) where: Base-Base interactions energy: -2187.774 where: short stacking energy: -886.832 Base-Backbone interact. energy: -7.193 local terms energy: -871.668932 where: bonds (distance) C4'-P energy: -166.218 bonds (distance) P-C4' energy: -150.887 flat angles C4'-P-C4' energy: -190.985 flat angles P-C4'-P energy: -128.256 tors. eta vs tors. theta energy: -235.323 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: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2970.439322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.439322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.439322 (E_RNA) where: Base-Base interactions energy: -2112.176 where: short stacking energy: -871.883 Base-Backbone interact. energy: -6.782 local terms energy: -851.480897 where: bonds (distance) C4'-P energy: -148.021 bonds (distance) P-C4' energy: -160.675 flat angles C4'-P-C4' energy: -175.496 flat angles P-C4'-P energy: -130.487 tors. eta vs tors. theta energy: -236.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2834.994792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.994792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.994792 (E_RNA) where: Base-Base interactions energy: -2028.284 where: short stacking energy: -871.935 Base-Backbone interact. energy: -0.800 local terms energy: -805.911003 where: bonds (distance) C4'-P energy: -149.219 bonds (distance) P-C4' energy: -153.835 flat angles C4'-P-C4' energy: -167.707 flat angles P-C4'-P energy: -115.813 tors. eta vs tors. theta energy: -219.336 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: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2774.567722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.567722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.567722 (E_RNA) where: Base-Base interactions energy: -1964.412 where: short stacking energy: -837.601 Base-Backbone interact. energy: -5.686 local terms energy: -804.470691 where: bonds (distance) C4'-P energy: -151.356 bonds (distance) P-C4' energy: -157.634 flat angles C4'-P-C4' energy: -173.245 flat angles P-C4'-P energy: -100.024 tors. eta vs tors. theta energy: -222.212 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: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2592.218331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.218331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.218331 (E_RNA) where: Base-Base interactions energy: -1811.641 where: short stacking energy: -766.933 Base-Backbone interact. energy: 4.054 local terms energy: -784.631113 where: bonds (distance) C4'-P energy: -141.215 bonds (distance) P-C4' energy: -145.668 flat angles C4'-P-C4' energy: -170.783 flat angles P-C4'-P energy: -119.801 tors. eta vs tors. theta energy: -207.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2483.465570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.465570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.465570 (E_RNA) where: Base-Base interactions energy: -1755.821 where: short stacking energy: -723.138 Base-Backbone interact. energy: -4.110 local terms energy: -723.533625 where: bonds (distance) C4'-P energy: -128.831 bonds (distance) P-C4' energy: -145.260 flat angles C4'-P-C4' energy: -170.470 flat angles P-C4'-P energy: -102.835 tors. eta vs tors. theta energy: -176.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2364.189146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.189146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.189146 (E_RNA) where: Base-Base interactions energy: -1672.582 where: short stacking energy: -706.772 Base-Backbone interact. energy: -1.947 local terms energy: -689.660106 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -128.912 flat angles C4'-P-C4' energy: -165.120 flat angles P-C4'-P energy: -94.489 tors. eta vs tors. theta energy: -182.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -2244.650149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.650149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.650149 (E_RNA) where: Base-Base interactions energy: -1568.829 where: short stacking energy: -675.730 Base-Backbone interact. energy: -5.760 local terms energy: -670.060597 where: bonds (distance) C4'-P energy: -119.747 bonds (distance) P-C4' energy: -142.286 flat angles C4'-P-C4' energy: -150.571 flat angles P-C4'-P energy: -96.975 tors. eta vs tors. theta energy: -160.482 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: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1867.372488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.372488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.372488 (E_RNA) where: Base-Base interactions energy: -1269.371 where: short stacking energy: -569.334 Base-Backbone interact. energy: -0.740 local terms energy: -597.261233 where: bonds (distance) C4'-P energy: -127.430 bonds (distance) P-C4' energy: -126.393 flat angles C4'-P-C4' energy: -142.743 flat angles P-C4'-P energy: -83.481 tors. eta vs tors. theta energy: -117.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1415.289136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.289136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.289136 (E_RNA) where: Base-Base interactions energy: -911.522 where: short stacking energy: -411.257 Base-Backbone interact. energy: 3.603 local terms energy: -507.369969 where: bonds (distance) C4'-P energy: -116.460 bonds (distance) P-C4' energy: -135.011 flat angles C4'-P-C4' energy: -128.918 flat angles P-C4'-P energy: -61.933 tors. eta vs tors. theta energy: -65.048 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: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3072.824997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.824997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.824997 (E_RNA) where: Base-Base interactions energy: -2176.190 where: short stacking energy: -883.279 Base-Backbone interact. energy: -9.844 local terms energy: -886.791550 where: bonds (distance) C4'-P energy: -167.649 bonds (distance) P-C4' energy: -168.530 flat angles C4'-P-C4' energy: -187.824 flat angles P-C4'-P energy: -128.699 tors. eta vs tors. theta energy: -234.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2969.008296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.008296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.008296 (E_RNA) where: Base-Base interactions energy: -2132.843 where: short stacking energy: -856.577 Base-Backbone interact. energy: -4.888 local terms energy: -831.277412 where: bonds (distance) C4'-P energy: -141.619 bonds (distance) P-C4' energy: -141.059 flat angles C4'-P-C4' energy: -184.347 flat angles P-C4'-P energy: -124.229 tors. eta vs tors. theta energy: -240.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2819.374882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.374882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.374882 (E_RNA) where: Base-Base interactions energy: -1991.545 where: short stacking energy: -874.828 Base-Backbone interact. energy: -2.445 local terms energy: -825.385277 where: bonds (distance) C4'-P energy: -154.825 bonds (distance) P-C4' energy: -162.619 flat angles C4'-P-C4' energy: -178.282 flat angles P-C4'-P energy: -104.167 tors. eta vs tors. theta energy: -225.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2729.805688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.805688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.805688 (E_RNA) where: Base-Base interactions energy: -1921.137 where: short stacking energy: -820.203 Base-Backbone interact. energy: -0.430 local terms energy: -808.238825 where: bonds (distance) C4'-P energy: -142.610 bonds (distance) P-C4' energy: -159.707 flat angles C4'-P-C4' energy: -167.828 flat angles P-C4'-P energy: -111.439 tors. eta vs tors. theta energy: -226.654 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: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2583.175195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.175195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.175195 (E_RNA) where: Base-Base interactions energy: -1844.540 where: short stacking energy: -782.635 Base-Backbone interact. energy: 0.952 local terms energy: -739.586632 where: bonds (distance) C4'-P energy: -127.524 bonds (distance) P-C4' energy: -136.550 flat angles C4'-P-C4' energy: -165.886 flat angles P-C4'-P energy: -108.163 tors. eta vs tors. theta energy: -201.464 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: 393 Temperature: 1.150000 Total energy: -2584.235948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.235948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.235948 (E_RNA) where: Base-Base interactions energy: -1850.176 where: short stacking energy: -768.298 Base-Backbone interact. energy: -0.242 local terms energy: -733.817667 where: bonds (distance) C4'-P energy: -113.436 bonds (distance) P-C4' energy: -151.445 flat angles C4'-P-C4' energy: -175.914 flat angles P-C4'-P energy: -99.979 tors. eta vs tors. theta energy: -193.043 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: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2311.936578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.936578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.936578 (E_RNA) where: Base-Base interactions energy: -1633.475 where: short stacking energy: -706.301 Base-Backbone interact. energy: -1.699 local terms energy: -676.762538 where: bonds (distance) C4'-P energy: -128.347 bonds (distance) P-C4' energy: -150.734 flat angles C4'-P-C4' energy: -136.321 flat angles P-C4'-P energy: -97.468 tors. eta vs tors. theta energy: -163.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -2286.419596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.419596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.419596 (E_RNA) where: Base-Base interactions energy: -1613.094 where: short stacking energy: -684.866 Base-Backbone interact. energy: -1.111 local terms energy: -672.214696 where: bonds (distance) C4'-P energy: -103.998 bonds (distance) P-C4' energy: -138.264 flat angles C4'-P-C4' energy: -145.924 flat angles P-C4'-P energy: -96.325 tors. eta vs tors. theta energy: -187.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1873.238530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.238530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.238530 (E_RNA) where: Base-Base interactions energy: -1278.879 where: short stacking energy: -592.782 Base-Backbone interact. energy: 3.497 local terms energy: -597.856951 where: bonds (distance) C4'-P energy: -136.149 bonds (distance) P-C4' energy: -141.336 flat angles C4'-P-C4' energy: -117.665 flat angles P-C4'-P energy: -76.820 tors. eta vs tors. theta energy: -125.886 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: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1465.249978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.249978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.249978 (E_RNA) where: Base-Base interactions energy: -957.842 where: short stacking energy: -444.200 Base-Backbone interact. energy: 2.706 local terms energy: -510.114340 where: bonds (distance) C4'-P energy: -107.434 bonds (distance) P-C4' energy: -116.797 flat angles C4'-P-C4' energy: -125.982 flat angles P-C4'-P energy: -76.287 tors. eta vs tors. theta energy: -83.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3065.751178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.751178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.751178 (E_RNA) where: Base-Base interactions energy: -2198.280 where: short stacking energy: -899.398 Base-Backbone interact. energy: -6.581 local terms energy: -860.890417 where: bonds (distance) C4'-P energy: -143.999 bonds (distance) P-C4' energy: -168.349 flat angles C4'-P-C4' energy: -185.220 flat angles P-C4'-P energy: -122.186 tors. eta vs tors. theta energy: -241.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2971.637275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.637275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.637275 (E_RNA) where: Base-Base interactions energy: -2114.418 where: short stacking energy: -885.286 Base-Backbone interact. energy: -1.431 local terms energy: -855.788331 where: bonds (distance) C4'-P energy: -144.510 bonds (distance) P-C4' energy: -166.100 flat angles C4'-P-C4' energy: -176.714 flat angles P-C4'-P energy: -123.260 tors. eta vs tors. theta energy: -245.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2778.407726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.407726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.407726 (E_RNA) where: Base-Base interactions energy: -1971.501 where: short stacking energy: -835.941 Base-Backbone interact. energy: -3.673 local terms energy: -803.233756 where: bonds (distance) C4'-P energy: -159.863 bonds (distance) P-C4' energy: -166.158 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -116.196 tors. eta vs tors. theta energy: -210.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2724.176241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.176241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.176241 (E_RNA) where: Base-Base interactions energy: -1954.163 where: short stacking energy: -810.644 Base-Backbone interact. energy: 0.634 local terms energy: -770.647661 where: bonds (distance) C4'-P energy: -152.273 bonds (distance) P-C4' energy: -153.640 flat angles C4'-P-C4' energy: -159.248 flat angles P-C4'-P energy: -97.729 tors. eta vs tors. theta energy: -207.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2621.151476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.151476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.151476 (E_RNA) where: Base-Base interactions energy: -1872.860 where: short stacking energy: -753.708 Base-Backbone interact. energy: -4.145 local terms energy: -744.146807 where: bonds (distance) C4'-P energy: -131.981 bonds (distance) P-C4' energy: -145.242 flat angles C4'-P-C4' energy: -163.788 flat angles P-C4'-P energy: -98.501 tors. eta vs tors. theta energy: -204.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2524.905822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.905822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.905822 (E_RNA) where: Base-Base interactions energy: -1798.409 where: short stacking energy: -752.649 Base-Backbone interact. energy: -4.119 local terms energy: -722.377142 where: bonds (distance) C4'-P energy: -144.376 bonds (distance) P-C4' energy: -123.001 flat angles C4'-P-C4' energy: -164.206 flat angles P-C4'-P energy: -100.773 tors. eta vs tors. theta energy: -190.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2309.519782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.519782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.519782 (E_RNA) where: Base-Base interactions energy: -1607.244 where: short stacking energy: -691.782 Base-Backbone interact. energy: -0.394 local terms energy: -701.881747 where: bonds (distance) C4'-P energy: -111.496 bonds (distance) P-C4' energy: -148.658 flat angles C4'-P-C4' energy: -157.174 flat angles P-C4'-P energy: -109.047 tors. eta vs tors. theta energy: -175.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -2226.796089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.796089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.796089 (E_RNA) where: Base-Base interactions energy: -1611.546 where: short stacking energy: -695.256 Base-Backbone interact. energy: 4.975 local terms energy: -620.225305 where: bonds (distance) C4'-P energy: -116.608 bonds (distance) P-C4' energy: -116.522 flat angles C4'-P-C4' energy: -129.061 flat angles P-C4'-P energy: -100.595 tors. eta vs tors. theta energy: -157.439 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: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1793.512964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.512964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.512964 (E_RNA) where: Base-Base interactions energy: -1224.194 where: short stacking energy: -546.751 Base-Backbone interact. energy: -2.011 local terms energy: -567.307421 where: bonds (distance) C4'-P energy: -126.904 bonds (distance) P-C4' energy: -123.366 flat angles C4'-P-C4' energy: -117.020 flat angles P-C4'-P energy: -94.014 tors. eta vs tors. theta energy: -106.003 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: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1481.765490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.765490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.765490 (E_RNA) where: Base-Base interactions energy: -962.212 where: short stacking energy: -477.235 Base-Backbone interact. energy: 8.154 local terms energy: -527.708321 where: bonds (distance) C4'-P energy: -97.473 bonds (distance) P-C4' energy: -123.913 flat angles C4'-P-C4' energy: -139.407 flat angles P-C4'-P energy: -86.183 tors. eta vs tors. theta energy: -80.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3026.718898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.718898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.718898 (E_RNA) where: Base-Base interactions energy: -2175.236 where: short stacking energy: -901.031 Base-Backbone interact. energy: -8.296 local terms energy: -843.186874 where: bonds (distance) C4'-P energy: -148.739 bonds (distance) P-C4' energy: -151.664 flat angles C4'-P-C4' energy: -187.276 flat angles P-C4'-P energy: -126.338 tors. eta vs tors. theta energy: -229.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2980.935340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.935340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.935340 (E_RNA) where: Base-Base interactions energy: -2134.450 where: short stacking energy: -910.215 Base-Backbone interact. energy: -2.429 local terms energy: -844.056053 where: bonds (distance) C4'-P energy: -154.086 bonds (distance) P-C4' energy: -143.564 flat angles C4'-P-C4' energy: -178.834 flat angles P-C4'-P energy: -132.184 tors. eta vs tors. theta energy: -235.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2819.857566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.857566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.857566 (E_RNA) where: Base-Base interactions energy: -1984.799 where: short stacking energy: -865.536 Base-Backbone interact. energy: -1.910 local terms energy: -833.148637 where: bonds (distance) C4'-P energy: -160.168 bonds (distance) P-C4' energy: -156.096 flat angles C4'-P-C4' energy: -180.260 flat angles P-C4'-P energy: -109.650 tors. eta vs tors. theta energy: -226.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2741.756296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.756296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.756296 (E_RNA) where: Base-Base interactions energy: -1963.575 where: short stacking energy: -821.189 Base-Backbone interact. energy: -2.586 local terms energy: -775.596150 where: bonds (distance) C4'-P energy: -136.962 bonds (distance) P-C4' energy: -130.465 flat angles C4'-P-C4' energy: -174.290 flat angles P-C4'-P energy: -120.320 tors. eta vs tors. theta energy: -213.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2643.817296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.817296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.817296 (E_RNA) where: Base-Base interactions energy: -1911.595 where: short stacking energy: -762.949 Base-Backbone interact. energy: -6.502 local terms energy: -725.720900 where: bonds (distance) C4'-P energy: -143.277 bonds (distance) P-C4' energy: -139.948 flat angles C4'-P-C4' energy: -161.742 flat angles P-C4'-P energy: -96.477 tors. eta vs tors. theta energy: -184.276 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: 6, replica: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2478.256523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.256523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.256523 (E_RNA) where: Base-Base interactions energy: -1762.015 where: short stacking energy: -721.090 Base-Backbone interact. energy: 2.156 local terms energy: -718.396675 where: bonds (distance) C4'-P energy: -136.033 bonds (distance) P-C4' energy: -130.480 flat angles C4'-P-C4' energy: -155.670 flat angles P-C4'-P energy: -110.598 tors. eta vs tors. theta energy: -185.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2292.024191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.024191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.024191 (E_RNA) where: Base-Base interactions energy: -1604.094 where: short stacking energy: -694.991 Base-Backbone interact. energy: -2.553 local terms energy: -685.377379 where: bonds (distance) C4'-P energy: -119.583 bonds (distance) P-C4' energy: -126.797 flat angles C4'-P-C4' energy: -160.991 flat angles P-C4'-P energy: -101.852 tors. eta vs tors. theta energy: -176.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -2236.186529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.186529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.186529 (E_RNA) where: Base-Base interactions energy: -1605.572 where: short stacking energy: -668.122 Base-Backbone interact. energy: 4.233 local terms energy: -634.847802 where: bonds (distance) C4'-P energy: -106.244 bonds (distance) P-C4' energy: -127.192 flat angles C4'-P-C4' energy: -146.212 flat angles P-C4'-P energy: -101.016 tors. eta vs tors. theta energy: -154.184 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: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1727.212723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.212723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.212723 (E_RNA) where: Base-Base interactions energy: -1182.961 where: short stacking energy: -500.839 Base-Backbone interact. energy: -3.742 local terms energy: -540.510093 where: bonds (distance) C4'-P energy: -129.557 bonds (distance) P-C4' energy: -120.251 flat angles C4'-P-C4' energy: -122.987 flat angles P-C4'-P energy: -81.176 tors. eta vs tors. theta energy: -86.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1447.391921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.391921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.391921 (E_RNA) where: Base-Base interactions energy: -972.676 where: short stacking energy: -421.168 Base-Backbone interact. energy: 1.831 local terms energy: -476.547253 where: bonds (distance) C4'-P energy: -112.807 bonds (distance) P-C4' energy: -111.977 flat angles C4'-P-C4' energy: -124.252 flat angles P-C4'-P energy: -68.144 tors. eta vs tors. theta energy: -59.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3037.160862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.160862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.160862 (E_RNA) where: Base-Base interactions energy: -2181.017 where: short stacking energy: -890.108 Base-Backbone interact. energy: -6.044 local terms energy: -850.100205 where: bonds (distance) C4'-P energy: -143.125 bonds (distance) P-C4' energy: -160.661 flat angles C4'-P-C4' energy: -189.555 flat angles P-C4'-P energy: -124.207 tors. eta vs tors. theta energy: -232.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2968.808581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.808581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.808581 (E_RNA) where: Base-Base interactions energy: -2123.187 where: short stacking energy: -911.408 Base-Backbone interact. energy: -5.519 local terms energy: -840.102401 where: bonds (distance) C4'-P energy: -139.751 bonds (distance) P-C4' energy: -161.458 flat angles C4'-P-C4' energy: -182.215 flat angles P-C4'-P energy: -111.611 tors. eta vs tors. theta energy: -245.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2783.902723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.902723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.902723 (E_RNA) where: Base-Base interactions energy: -1953.431 where: short stacking energy: -847.033 Base-Backbone interact. energy: -3.151 local terms energy: -827.320416 where: bonds (distance) C4'-P energy: -139.410 bonds (distance) P-C4' energy: -152.749 flat angles C4'-P-C4' energy: -175.767 flat angles P-C4'-P energy: -134.838 tors. eta vs tors. theta energy: -224.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2719.727243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.727243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.727243 (E_RNA) where: Base-Base interactions energy: -1930.773 where: short stacking energy: -828.364 Base-Backbone interact. energy: -2.537 local terms energy: -786.417638 where: bonds (distance) C4'-P energy: -144.234 bonds (distance) P-C4' energy: -140.240 flat angles C4'-P-C4' energy: -179.263 flat angles P-C4'-P energy: -110.222 tors. eta vs tors. theta energy: -212.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2661.691642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.691642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.691642 (E_RNA) where: Base-Base interactions energy: -1931.032 where: short stacking energy: -791.579 Base-Backbone interact. energy: -3.736 local terms energy: -726.923923 where: bonds (distance) C4'-P energy: -136.129 bonds (distance) P-C4' energy: -141.626 flat angles C4'-P-C4' energy: -158.031 flat angles P-C4'-P energy: -90.710 tors. eta vs tors. theta energy: -200.427 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: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2462.665180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.665180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.665180 (E_RNA) where: Base-Base interactions energy: -1712.015 where: short stacking energy: -731.332 Base-Backbone interact. energy: -3.776 local terms energy: -746.873622 where: bonds (distance) C4'-P energy: -149.238 bonds (distance) P-C4' energy: -137.741 flat angles C4'-P-C4' energy: -154.913 flat angles P-C4'-P energy: -104.572 tors. eta vs tors. theta energy: -200.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2296.562627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.562627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.562627 (E_RNA) where: Base-Base interactions energy: -1616.827 where: short stacking energy: -682.958 Base-Backbone interact. energy: 3.325 local terms energy: -683.061027 where: bonds (distance) C4'-P energy: -143.954 bonds (distance) P-C4' energy: -136.026 flat angles C4'-P-C4' energy: -156.819 flat angles P-C4'-P energy: -88.978 tors. eta vs tors. theta energy: -157.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -2225.338093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.338093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.338093 (E_RNA) where: Base-Base interactions energy: -1515.299 where: short stacking energy: -648.007 Base-Backbone interact. energy: -2.025 local terms energy: -708.014735 where: bonds (distance) C4'-P energy: -127.259 bonds (distance) P-C4' energy: -150.242 flat angles C4'-P-C4' energy: -155.659 flat angles P-C4'-P energy: -99.268 tors. eta vs tors. theta energy: -175.587 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: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1784.978942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.978942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.978942 (E_RNA) where: Base-Base interactions energy: -1193.045 where: short stacking energy: -532.798 Base-Backbone interact. energy: -1.146 local terms energy: -590.787628 where: bonds (distance) C4'-P energy: -102.118 bonds (distance) P-C4' energy: -133.261 flat angles C4'-P-C4' energy: -161.279 flat angles P-C4'-P energy: -76.279 tors. eta vs tors. theta energy: -117.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1551.980268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.980268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.980268 (E_RNA) where: Base-Base interactions energy: -1027.907 where: short stacking energy: -452.954 Base-Backbone interact. energy: -2.174 local terms energy: -521.898656 where: bonds (distance) C4'-P energy: -106.247 bonds (distance) P-C4' energy: -119.334 flat angles C4'-P-C4' energy: -138.130 flat angles P-C4'-P energy: -81.229 tors. eta vs tors. theta energy: -76.959 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: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3041.219494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.219494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.219494 (E_RNA) where: Base-Base interactions energy: -2194.182 where: short stacking energy: -905.884 Base-Backbone interact. energy: 4.313 local terms energy: -851.349963 where: bonds (distance) C4'-P energy: -155.173 bonds (distance) P-C4' energy: -168.555 flat angles C4'-P-C4' energy: -183.465 flat angles P-C4'-P energy: -126.537 tors. eta vs tors. theta energy: -217.620 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: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2990.580378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.580378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.580378 (E_RNA) where: Base-Base interactions energy: -2130.910 where: short stacking energy: -887.242 Base-Backbone interact. energy: -5.450 local terms energy: -854.220399 where: bonds (distance) C4'-P energy: -138.580 bonds (distance) P-C4' energy: -166.320 flat angles C4'-P-C4' energy: -186.456 flat angles P-C4'-P energy: -128.744 tors. eta vs tors. theta energy: -234.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2789.497355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.497355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.497355 (E_RNA) where: Base-Base interactions energy: -1965.180 where: short stacking energy: -840.739 Base-Backbone interact. energy: -3.445 local terms energy: -820.871973 where: bonds (distance) C4'-P energy: -154.929 bonds (distance) P-C4' energy: -144.440 flat angles C4'-P-C4' energy: -170.322 flat angles P-C4'-P energy: -119.793 tors. eta vs tors. theta energy: -231.387 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: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2661.731980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.731980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.731980 (E_RNA) where: Base-Base interactions energy: -1883.564 where: short stacking energy: -768.961 Base-Backbone interact. energy: -6.765 local terms energy: -771.402524 where: bonds (distance) C4'-P energy: -140.118 bonds (distance) P-C4' energy: -147.740 flat angles C4'-P-C4' energy: -178.958 flat angles P-C4'-P energy: -95.772 tors. eta vs tors. theta energy: -208.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2712.990237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.990237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.990237 (E_RNA) where: Base-Base interactions energy: -1958.036 where: short stacking energy: -786.364 Base-Backbone interact. energy: -1.330 local terms energy: -753.624207 where: bonds (distance) C4'-P energy: -148.727 bonds (distance) P-C4' energy: -139.651 flat angles C4'-P-C4' energy: -164.374 flat angles P-C4'-P energy: -101.390 tors. eta vs tors. theta energy: -199.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2497.997486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.997486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.997486 (E_RNA) where: Base-Base interactions energy: -1795.505 where: short stacking energy: -742.565 Base-Backbone interact. energy: -2.161 local terms energy: -700.330929 where: bonds (distance) C4'-P energy: -132.932 bonds (distance) P-C4' energy: -120.401 flat angles C4'-P-C4' energy: -146.065 flat angles P-C4'-P energy: -104.881 tors. eta vs tors. theta energy: -196.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2300.780645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.780645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.780645 (E_RNA) where: Base-Base interactions energy: -1604.757 where: short stacking energy: -663.524 Base-Backbone interact. energy: 0.826 local terms energy: -696.849604 where: bonds (distance) C4'-P energy: -132.227 bonds (distance) P-C4' energy: -147.418 flat angles C4'-P-C4' energy: -137.779 flat angles P-C4'-P energy: -105.645 tors. eta vs tors. theta energy: -173.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -2182.660154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.660154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.660154 (E_RNA) where: Base-Base interactions energy: -1511.581 where: short stacking energy: -654.055 Base-Backbone interact. energy: -0.497 local terms energy: -670.581980 where: bonds (distance) C4'-P energy: -124.835 bonds (distance) P-C4' energy: -127.112 flat angles C4'-P-C4' energy: -153.697 flat angles P-C4'-P energy: -103.892 tors. eta vs tors. theta energy: -161.046 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: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1882.406877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.406877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.406877 (E_RNA) where: Base-Base interactions energy: -1256.771 where: short stacking energy: -550.218 Base-Backbone interact. energy: 3.073 local terms energy: -628.709035 where: bonds (distance) C4'-P energy: -130.189 bonds (distance) P-C4' energy: -140.107 flat angles C4'-P-C4' energy: -132.968 flat angles P-C4'-P energy: -93.111 tors. eta vs tors. theta energy: -132.334 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: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1465.789581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.789581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.789581 (E_RNA) where: Base-Base interactions energy: -980.240 where: short stacking energy: -432.066 Base-Backbone interact. energy: 1.285 local terms energy: -486.834667 where: bonds (distance) C4'-P energy: -126.581 bonds (distance) P-C4' energy: -104.321 flat angles C4'-P-C4' energy: -108.872 flat angles P-C4'-P energy: -77.591 tors. eta vs tors. theta energy: -69.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3036.655089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.655089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.655089 (E_RNA) where: Base-Base interactions energy: -2167.532 where: short stacking energy: -903.219 Base-Backbone interact. energy: -10.491 local terms energy: -858.632925 where: bonds (distance) C4'-P energy: -167.680 bonds (distance) P-C4' energy: -149.098 flat angles C4'-P-C4' energy: -184.567 flat angles P-C4'-P energy: -124.057 tors. eta vs tors. theta energy: -233.230 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: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2999.560195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.560195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.560195 (E_RNA) where: Base-Base interactions energy: -2131.707 where: short stacking energy: -898.606 Base-Backbone interact. energy: -5.945 local terms energy: -861.908332 where: bonds (distance) C4'-P energy: -147.102 bonds (distance) P-C4' energy: -165.253 flat angles C4'-P-C4' energy: -191.887 flat angles P-C4'-P energy: -124.525 tors. eta vs tors. theta energy: -233.141 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: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2769.010124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.010124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.010124 (E_RNA) where: Base-Base interactions energy: -1988.078 where: short stacking energy: -831.987 Base-Backbone interact. energy: -1.716 local terms energy: -779.215411 where: bonds (distance) C4'-P energy: -139.322 bonds (distance) P-C4' energy: -145.940 flat angles C4'-P-C4' energy: -166.686 flat angles P-C4'-P energy: -117.644 tors. eta vs tors. theta energy: -209.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2684.173168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.173168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.173168 (E_RNA) where: Base-Base interactions energy: -1891.733 where: short stacking energy: -816.394 Base-Backbone interact. energy: -2.091 local terms energy: -790.349247 where: bonds (distance) C4'-P energy: -128.785 bonds (distance) P-C4' energy: -155.805 flat angles C4'-P-C4' energy: -181.445 flat angles P-C4'-P energy: -108.795 tors. eta vs tors. theta energy: -215.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2671.241292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.241292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.241292 (E_RNA) where: Base-Base interactions energy: -1911.676 where: short stacking energy: -766.934 Base-Backbone interact. energy: -2.311 local terms energy: -757.254360 where: bonds (distance) C4'-P energy: -139.818 bonds (distance) P-C4' energy: -140.703 flat angles C4'-P-C4' energy: -155.998 flat angles P-C4'-P energy: -114.700 tors. eta vs tors. theta energy: -206.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2492.816235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.816235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.816235 (E_RNA) where: Base-Base interactions energy: -1771.172 where: short stacking energy: -744.981 Base-Backbone interact. energy: 1.589 local terms energy: -723.232787 where: bonds (distance) C4'-P energy: -124.443 bonds (distance) P-C4' energy: -141.226 flat angles C4'-P-C4' energy: -156.202 flat angles P-C4'-P energy: -99.180 tors. eta vs tors. theta energy: -202.183 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: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2345.175310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.175310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.175310 (E_RNA) where: Base-Base interactions energy: -1670.356 where: short stacking energy: -672.117 Base-Backbone interact. energy: 0.952 local terms energy: -675.771218 where: bonds (distance) C4'-P energy: -125.075 bonds (distance) P-C4' energy: -142.466 flat angles C4'-P-C4' energy: -159.991 flat angles P-C4'-P energy: -95.550 tors. eta vs tors. theta energy: -152.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -2216.451974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.451974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.451974 (E_RNA) where: Base-Base interactions energy: -1556.322 where: short stacking energy: -690.845 Base-Backbone interact. energy: -1.937 local terms energy: -658.192487 where: bonds (distance) C4'-P energy: -121.315 bonds (distance) P-C4' energy: -120.989 flat angles C4'-P-C4' energy: -137.979 flat angles P-C4'-P energy: -110.480 tors. eta vs tors. theta energy: -167.430 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: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1917.264262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.264262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.264262 (E_RNA) where: Base-Base interactions energy: -1313.298 where: short stacking energy: -592.503 Base-Backbone interact. energy: -3.566 local terms energy: -600.400566 where: bonds (distance) C4'-P energy: -120.812 bonds (distance) P-C4' energy: -119.960 flat angles C4'-P-C4' energy: -136.226 flat angles P-C4'-P energy: -73.925 tors. eta vs tors. theta energy: -149.477 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: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1389.487995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.487995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.487995 (E_RNA) where: Base-Base interactions energy: -939.580 where: short stacking energy: -420.050 Base-Backbone interact. energy: 3.519 local terms energy: -453.427739 where: bonds (distance) C4'-P energy: -116.180 bonds (distance) P-C4' energy: -117.296 flat angles C4'-P-C4' energy: -125.020 flat angles P-C4'-P energy: -50.814 tors. eta vs tors. theta energy: -44.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3020.678102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.678102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.678102 (E_RNA) where: Base-Base interactions energy: -2153.250 where: short stacking energy: -878.724 Base-Backbone interact. energy: -4.078 local terms energy: -863.349526 where: bonds (distance) C4'-P energy: -152.370 bonds (distance) P-C4' energy: -165.323 flat angles C4'-P-C4' energy: -182.858 flat angles P-C4'-P energy: -124.555 tors. eta vs tors. theta energy: -238.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -3004.978494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.978494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.978494 (E_RNA) where: Base-Base interactions energy: -2179.957 where: short stacking energy: -874.125 Base-Backbone interact. energy: -7.588 local terms energy: -817.433367 where: bonds (distance) C4'-P energy: -141.022 bonds (distance) P-C4' energy: -152.796 flat angles C4'-P-C4' energy: -171.724 flat angles P-C4'-P energy: -128.835 tors. eta vs tors. theta energy: -223.056 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: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2793.587882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.587882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.587882 (E_RNA) where: Base-Base interactions energy: -1986.652 where: short stacking energy: -860.939 Base-Backbone interact. energy: -1.839 local terms energy: -805.096949 where: bonds (distance) C4'-P energy: -144.152 bonds (distance) P-C4' energy: -144.338 flat angles C4'-P-C4' energy: -183.552 flat angles P-C4'-P energy: -99.888 tors. eta vs tors. theta energy: -233.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2742.671161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.671161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.671161 (E_RNA) where: Base-Base interactions energy: -1955.700 where: short stacking energy: -797.931 Base-Backbone interact. energy: 0.975 local terms energy: -787.945761 where: bonds (distance) C4'-P energy: -145.149 bonds (distance) P-C4' energy: -163.717 flat angles C4'-P-C4' energy: -150.223 flat angles P-C4'-P energy: -120.117 tors. eta vs tors. theta energy: -208.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2598.785528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.785528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.785528 (E_RNA) where: Base-Base interactions energy: -1823.420 where: short stacking energy: -751.184 Base-Backbone interact. energy: -3.379 local terms energy: -771.986029 where: bonds (distance) C4'-P energy: -143.621 bonds (distance) P-C4' energy: -134.413 flat angles C4'-P-C4' energy: -173.304 flat angles P-C4'-P energy: -107.867 tors. eta vs tors. theta energy: -212.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2509.087484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.087484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.087484 (E_RNA) where: Base-Base interactions energy: -1811.197 where: short stacking energy: -743.339 Base-Backbone interact. energy: -3.098 local terms energy: -694.793042 where: bonds (distance) C4'-P energy: -136.599 bonds (distance) P-C4' energy: -125.435 flat angles C4'-P-C4' energy: -146.272 flat angles P-C4'-P energy: -89.372 tors. eta vs tors. theta energy: -197.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2363.159141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.159141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.159141 (E_RNA) where: Base-Base interactions energy: -1662.088 where: short stacking energy: -687.947 Base-Backbone interact. energy: -3.296 local terms energy: -697.774717 where: bonds (distance) C4'-P energy: -130.309 bonds (distance) P-C4' energy: -159.483 flat angles C4'-P-C4' energy: -150.822 flat angles P-C4'-P energy: -90.675 tors. eta vs tors. theta energy: -166.485 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: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -2168.353141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.353141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.353141 (E_RNA) where: Base-Base interactions energy: -1547.926 where: short stacking energy: -663.840 Base-Backbone interact. energy: -4.645 local terms energy: -615.783014 where: bonds (distance) C4'-P energy: -118.288 bonds (distance) P-C4' energy: -107.067 flat angles C4'-P-C4' energy: -160.038 flat angles P-C4'-P energy: -77.299 tors. eta vs tors. theta energy: -153.092 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: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1851.517274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.517274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.517274 (E_RNA) where: Base-Base interactions energy: -1284.302 where: short stacking energy: -561.781 Base-Backbone interact. energy: 2.916 local terms energy: -570.130910 where: bonds (distance) C4'-P energy: -112.041 bonds (distance) P-C4' energy: -130.941 flat angles C4'-P-C4' energy: -122.284 flat angles P-C4'-P energy: -93.176 tors. eta vs tors. theta energy: -111.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1391.066939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.066939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.066939 (E_RNA) where: Base-Base interactions energy: -884.254 where: short stacking energy: -373.950 Base-Backbone interact. energy: -4.660 local terms energy: -502.152781 where: bonds (distance) C4'-P energy: -133.674 bonds (distance) P-C4' energy: -125.846 flat angles C4'-P-C4' energy: -141.454 flat angles P-C4'-P energy: -65.910 tors. eta vs tors. theta energy: -35.269 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: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3047.886085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.886085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.886085 (E_RNA) where: Base-Base interactions energy: -2175.715 where: short stacking energy: -915.024 Base-Backbone interact. energy: -4.303 local terms energy: -867.867434 where: bonds (distance) C4'-P energy: -152.739 bonds (distance) P-C4' energy: -156.114 flat angles C4'-P-C4' energy: -182.751 flat angles P-C4'-P energy: -129.926 tors. eta vs tors. theta energy: -246.337 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: 400 Temperature: 0.950000 Total energy: -2994.156601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.156601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.156601 (E_RNA) where: Base-Base interactions energy: -2157.118 where: short stacking energy: -868.637 Base-Backbone interact. energy: -6.624 local terms energy: -830.414119 where: bonds (distance) C4'-P energy: -151.934 bonds (distance) P-C4' energy: -156.038 flat angles C4'-P-C4' energy: -179.495 flat angles P-C4'-P energy: -118.204 tors. eta vs tors. theta energy: -224.743 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: 3, replica: 7 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2842.849909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.849909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.849909 (E_RNA) where: Base-Base interactions energy: -2008.738 where: short stacking energy: -861.425 Base-Backbone interact. energy: -4.353 local terms energy: -829.759591 where: bonds (distance) C4'-P energy: -153.236 bonds (distance) P-C4' energy: -152.937 flat angles C4'-P-C4' energy: -180.382 flat angles P-C4'-P energy: -113.708 tors. eta vs tors. theta energy: -229.496 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: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2733.833597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.833597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.833597 (E_RNA) where: Base-Base interactions energy: -1953.051 where: short stacking energy: -785.905 Base-Backbone interact. energy: -4.451 local terms energy: -776.331685 where: bonds (distance) C4'-P energy: -142.264 bonds (distance) P-C4' energy: -141.465 flat angles C4'-P-C4' energy: -171.067 flat angles P-C4'-P energy: -115.749 tors. eta vs tors. theta energy: -205.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2624.622618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.622618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.622618 (E_RNA) where: Base-Base interactions energy: -1853.100 where: short stacking energy: -815.553 Base-Backbone interact. energy: 1.411 local terms energy: -772.932872 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -138.000 flat angles C4'-P-C4' energy: -170.314 flat angles P-C4'-P energy: -117.399 tors. eta vs tors. theta energy: -212.726 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: 6, replica: 10 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2514.594574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.594574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.594574 (E_RNA) where: Base-Base interactions energy: -1811.881 where: short stacking energy: -738.471 Base-Backbone interact. energy: -1.508 local terms energy: -701.205424 where: bonds (distance) C4'-P energy: -126.217 bonds (distance) P-C4' energy: -133.824 flat angles C4'-P-C4' energy: -153.328 flat angles P-C4'-P energy: -94.135 tors. eta vs tors. theta energy: -193.702 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: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2352.615076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.615076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.615076 (E_RNA) where: Base-Base interactions energy: -1667.160 where: short stacking energy: -719.247 Base-Backbone interact. energy: -3.972 local terms energy: -681.482727 where: bonds (distance) C4'-P energy: -140.398 bonds (distance) P-C4' energy: -146.541 flat angles C4'-P-C4' energy: -146.730 flat angles P-C4'-P energy: -80.438 tors. eta vs tors. theta energy: -167.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -2170.808050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.808050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.808050 (E_RNA) where: Base-Base interactions energy: -1556.118 where: short stacking energy: -676.414 Base-Backbone interact. energy: -2.494 local terms energy: -612.195702 where: bonds (distance) C4'-P energy: -108.932 bonds (distance) P-C4' energy: -127.953 flat angles C4'-P-C4' energy: -139.726 flat angles P-C4'-P energy: -71.884 tors. eta vs tors. theta energy: -163.701 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: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1851.717859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.717859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.717859 (E_RNA) where: Base-Base interactions energy: -1252.817 where: short stacking energy: -563.516 Base-Backbone interact. energy: 1.301 local terms energy: -600.201556 where: bonds (distance) C4'-P energy: -146.427 bonds (distance) P-C4' energy: -111.331 flat angles C4'-P-C4' energy: -132.650 flat angles P-C4'-P energy: -95.525 tors. eta vs tors. theta energy: -114.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1358.051708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.051708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.051708 (E_RNA) where: Base-Base interactions energy: -861.226 where: short stacking energy: -404.803 Base-Backbone interact. energy: 2.037 local terms energy: -498.862902 where: bonds (distance) C4'-P energy: -124.877 bonds (distance) P-C4' energy: -144.344 flat angles C4'-P-C4' energy: -128.148 flat angles P-C4'-P energy: -65.553 tors. eta vs tors. theta energy: -35.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3048.464589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.464589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.464589 (E_RNA) where: Base-Base interactions energy: -2169.564 where: short stacking energy: -911.254 Base-Backbone interact. energy: -3.668 local terms energy: -875.232218 where: bonds (distance) C4'-P energy: -173.382 bonds (distance) P-C4' energy: -166.148 flat angles C4'-P-C4' energy: -165.864 flat angles P-C4'-P energy: -118.478 tors. eta vs tors. theta energy: -251.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2969.275906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.275906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.275906 (E_RNA) where: Base-Base interactions energy: -2150.861 where: short stacking energy: -894.254 Base-Backbone interact. energy: -7.608 local terms energy: -810.807717 where: bonds (distance) C4'-P energy: -148.070 bonds (distance) P-C4' energy: -144.014 flat angles C4'-P-C4' energy: -174.547 flat angles P-C4'-P energy: -110.986 tors. eta vs tors. theta energy: -233.190 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: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2795.532180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.532180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.532180 (E_RNA) where: Base-Base interactions energy: -1966.494 where: short stacking energy: -849.947 Base-Backbone interact. energy: -4.607 local terms energy: -824.430999 where: bonds (distance) C4'-P energy: -145.206 bonds (distance) P-C4' energy: -150.710 flat angles C4'-P-C4' energy: -183.872 flat angles P-C4'-P energy: -120.302 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: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2765.618160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.618160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.618160 (E_RNA) where: Base-Base interactions energy: -1998.608 where: short stacking energy: -777.370 Base-Backbone interact. energy: -3.255 local terms energy: -763.755543 where: bonds (distance) C4'-P energy: -123.750 bonds (distance) P-C4' energy: -149.303 flat angles C4'-P-C4' energy: -185.589 flat angles P-C4'-P energy: -105.322 tors. eta vs tors. theta energy: -199.792 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: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2621.414952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.414952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.414952 (E_RNA) where: Base-Base interactions energy: -1832.391 where: short stacking energy: -764.323 Base-Backbone interact. energy: -5.086 local terms energy: -783.938014 where: bonds (distance) C4'-P energy: -145.939 bonds (distance) P-C4' energy: -157.643 flat angles C4'-P-C4' energy: -172.960 flat angles P-C4'-P energy: -104.905 tors. eta vs tors. theta energy: -202.492 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: 10 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2519.684261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.684261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.684261 (E_RNA) where: Base-Base interactions energy: -1798.230 where: short stacking energy: -753.146 Base-Backbone interact. energy: -4.080 local terms energy: -717.374201 where: bonds (distance) C4'-P energy: -147.458 bonds (distance) P-C4' energy: -125.528 flat angles C4'-P-C4' energy: -162.279 flat angles P-C4'-P energy: -83.567 tors. eta vs tors. theta energy: -198.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2365.817367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.817367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.817367 (E_RNA) where: Base-Base interactions energy: -1698.636 where: short stacking energy: -696.319 Base-Backbone interact. energy: -1.420 local terms energy: -665.761522 where: bonds (distance) C4'-P energy: -119.011 bonds (distance) P-C4' energy: -117.031 flat angles C4'-P-C4' energy: -157.906 flat angles P-C4'-P energy: -95.855 tors. eta vs tors. theta energy: -175.959 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: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -2246.849102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.849102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.849102 (E_RNA) where: Base-Base interactions energy: -1566.490 where: short stacking energy: -686.240 Base-Backbone interact. energy: -0.696 local terms energy: -679.663086 where: bonds (distance) C4'-P energy: -138.181 bonds (distance) P-C4' energy: -96.758 flat angles C4'-P-C4' energy: -162.851 flat angles P-C4'-P energy: -104.082 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: 9, replica: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1805.957951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.957951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.957951 (E_RNA) where: Base-Base interactions energy: -1229.605 where: short stacking energy: -550.518 Base-Backbone interact. energy: 0.581 local terms energy: -576.933173 where: bonds (distance) C4'-P energy: -114.495 bonds (distance) P-C4' energy: -130.889 flat angles C4'-P-C4' energy: -109.290 flat angles P-C4'-P energy: -98.768 tors. eta vs tors. theta energy: -123.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1393.691186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.691186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.691186 (E_RNA) where: Base-Base interactions energy: -904.989 where: short stacking energy: -405.536 Base-Backbone interact. energy: 1.184 local terms energy: -489.885921 where: bonds (distance) C4'-P energy: -117.356 bonds (distance) P-C4' energy: -118.328 flat angles C4'-P-C4' energy: -108.254 flat angles P-C4'-P energy: -92.505 tors. eta vs tors. theta energy: -53.443 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: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3070.611628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.611628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.611628 (E_RNA) where: Base-Base interactions energy: -2190.402 where: short stacking energy: -911.917 Base-Backbone interact. energy: -4.260 local terms energy: -875.949473 where: bonds (distance) C4'-P energy: -160.956 bonds (distance) P-C4' energy: -165.739 flat angles C4'-P-C4' energy: -182.833 flat angles P-C4'-P energy: -115.756 tors. eta vs tors. theta energy: -250.667 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: 402 Temperature: 0.950000 Total energy: -2981.195564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.195564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.195564 (E_RNA) where: Base-Base interactions energy: -2135.595 where: short stacking energy: -887.259 Base-Backbone interact. energy: -3.433 local terms energy: -842.167933 where: bonds (distance) C4'-P energy: -156.402 bonds (distance) P-C4' energy: -148.195 flat angles C4'-P-C4' energy: -184.991 flat angles P-C4'-P energy: -121.656 tors. eta vs tors. theta energy: -230.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2796.686297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.686297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.686297 (E_RNA) where: Base-Base interactions energy: -1957.575 where: short stacking energy: -842.206 Base-Backbone interact. energy: -4.108 local terms energy: -835.003316 where: bonds (distance) C4'-P energy: -147.535 bonds (distance) P-C4' energy: -165.187 flat angles C4'-P-C4' energy: -178.251 flat angles P-C4'-P energy: -112.364 tors. eta vs tors. theta energy: -231.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2774.494605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.494605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.494605 (E_RNA) where: Base-Base interactions energy: -1985.157 where: short stacking energy: -835.079 Base-Backbone interact. energy: -2.508 local terms energy: -786.829939 where: bonds (distance) C4'-P energy: -144.862 bonds (distance) P-C4' energy: -143.292 flat angles C4'-P-C4' energy: -169.045 flat angles P-C4'-P energy: -115.695 tors. eta vs tors. theta energy: -213.935 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: 402 Temperature: 1.100000 Total energy: -2623.686761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.686761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.686761 (E_RNA) where: Base-Base interactions energy: -1842.086 where: short stacking energy: -751.210 Base-Backbone interact. energy: -0.293 local terms energy: -781.308336 where: bonds (distance) C4'-P energy: -146.661 bonds (distance) P-C4' energy: -155.929 flat angles C4'-P-C4' energy: -172.015 flat angles P-C4'-P energy: -108.846 tors. eta vs tors. theta energy: -197.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2565.984599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.984599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.984599 (E_RNA) where: Base-Base interactions energy: -1819.216 where: short stacking energy: -775.091 Base-Backbone interact. energy: 2.260 local terms energy: -749.029102 where: bonds (distance) C4'-P energy: -136.601 bonds (distance) P-C4' energy: -136.392 flat angles C4'-P-C4' energy: -177.881 flat angles P-C4'-P energy: -102.044 tors. eta vs tors. theta energy: -196.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2397.430598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.430598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.430598 (E_RNA) where: Base-Base interactions energy: -1697.270 where: short stacking energy: -706.767 Base-Backbone interact. energy: -2.366 local terms energy: -697.794722 where: bonds (distance) C4'-P energy: -139.320 bonds (distance) P-C4' energy: -142.903 flat angles C4'-P-C4' energy: -155.513 flat angles P-C4'-P energy: -88.070 tors. eta vs tors. theta energy: -171.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -2241.985221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.985221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.985221 (E_RNA) where: Base-Base interactions energy: -1594.816 where: short stacking energy: -681.085 Base-Backbone interact. energy: 1.223 local terms energy: -648.391840 where: bonds (distance) C4'-P energy: -122.098 bonds (distance) P-C4' energy: -130.955 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -80.857 tors. eta vs tors. theta energy: -158.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1812.402948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.402948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.402948 (E_RNA) where: Base-Base interactions energy: -1205.020 where: short stacking energy: -519.433 Base-Backbone interact. energy: 3.039 local terms energy: -610.421445 where: bonds (distance) C4'-P energy: -134.202 bonds (distance) P-C4' energy: -131.881 flat angles C4'-P-C4' energy: -139.716 flat angles P-C4'-P energy: -100.494 tors. eta vs tors. theta energy: -104.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1517.582350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.582350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.582350 (E_RNA) where: Base-Base interactions energy: -991.597 where: short stacking energy: -457.983 Base-Backbone interact. energy: 2.523 local terms energy: -528.507854 where: bonds (distance) C4'-P energy: -140.825 bonds (distance) P-C4' energy: -107.427 flat angles C4'-P-C4' energy: -118.518 flat angles P-C4'-P energy: -73.193 tors. eta vs tors. theta energy: -88.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3088.146177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.146177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.146177 (E_RNA) where: Base-Base interactions energy: -2222.130 where: short stacking energy: -951.137 Base-Backbone interact. energy: -5.232 local terms energy: -860.783256 where: bonds (distance) C4'-P energy: -153.186 bonds (distance) P-C4' energy: -157.145 flat angles C4'-P-C4' energy: -187.315 flat angles P-C4'-P energy: -126.156 tors. eta vs tors. theta energy: -236.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2972.220974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.220974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.220974 (E_RNA) where: Base-Base interactions energy: -2128.124 where: short stacking energy: -880.197 Base-Backbone interact. energy: -0.359 local terms energy: -843.738718 where: bonds (distance) C4'-P energy: -156.006 bonds (distance) P-C4' energy: -162.795 flat angles C4'-P-C4' energy: -172.407 flat angles P-C4'-P energy: -117.863 tors. eta vs tors. theta energy: -234.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2802.862519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.862519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.862519 (E_RNA) where: Base-Base interactions energy: -1948.045 where: short stacking energy: -853.464 Base-Backbone interact. energy: -4.704 local terms energy: -850.113676 where: bonds (distance) C4'-P energy: -149.536 bonds (distance) P-C4' energy: -158.342 flat angles C4'-P-C4' energy: -166.534 flat angles P-C4'-P energy: -129.798 tors. eta vs tors. theta energy: -245.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2764.456348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.456348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.456348 (E_RNA) where: Base-Base interactions energy: -1987.579 where: short stacking energy: -811.951 Base-Backbone interact. energy: -2.028 local terms energy: -774.849790 where: bonds (distance) C4'-P energy: -143.872 bonds (distance) P-C4' energy: -152.421 flat angles C4'-P-C4' energy: -157.083 flat angles P-C4'-P energy: -99.273 tors. eta vs tors. theta energy: -222.200 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: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2599.722887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.722887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.722887 (E_RNA) where: Base-Base interactions energy: -1850.080 where: short stacking energy: -764.815 Base-Backbone interact. energy: -2.780 local terms energy: -746.863579 where: bonds (distance) C4'-P energy: -138.781 bonds (distance) P-C4' energy: -141.444 flat angles C4'-P-C4' energy: -167.141 flat angles P-C4'-P energy: -97.202 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: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2514.972709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.972709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.972709 (E_RNA) where: Base-Base interactions energy: -1785.327 where: short stacking energy: -764.886 Base-Backbone interact. energy: -0.666 local terms energy: -728.979163 where: bonds (distance) C4'-P energy: -136.614 bonds (distance) P-C4' energy: -115.586 flat angles C4'-P-C4' energy: -163.451 flat angles P-C4'-P energy: -104.891 tors. eta vs tors. theta energy: -208.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2345.410935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.410935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.410935 (E_RNA) where: Base-Base interactions energy: -1673.091 where: short stacking energy: -702.344 Base-Backbone interact. energy: 3.484 local terms energy: -675.804744 where: bonds (distance) C4'-P energy: -103.154 bonds (distance) P-C4' energy: -123.992 flat angles C4'-P-C4' energy: -163.424 flat angles P-C4'-P energy: -107.183 tors. eta vs tors. theta energy: -178.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -2197.257095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.257095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.257095 (E_RNA) where: Base-Base interactions energy: -1551.926 where: short stacking energy: -644.130 Base-Backbone interact. energy: -4.436 local terms energy: -640.894672 where: bonds (distance) C4'-P energy: -137.879 bonds (distance) P-C4' energy: -114.619 flat angles C4'-P-C4' energy: -141.720 flat angles P-C4'-P energy: -89.219 tors. eta vs tors. theta energy: -157.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1769.665099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.665099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.665099 (E_RNA) where: Base-Base interactions energy: -1213.737 where: short stacking energy: -555.413 Base-Backbone interact. energy: 2.052 local terms energy: -557.980025 where: bonds (distance) C4'-P energy: -125.774 bonds (distance) P-C4' energy: -91.809 flat angles C4'-P-C4' energy: -147.414 flat angles P-C4'-P energy: -81.888 tors. eta vs tors. theta energy: -111.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1473.961146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.961146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.961146 (E_RNA) where: Base-Base interactions energy: -955.960 where: short stacking energy: -420.307 Base-Backbone interact. energy: 1.072 local terms energy: -519.072789 where: bonds (distance) C4'-P energy: -121.781 bonds (distance) P-C4' energy: -139.121 flat angles C4'-P-C4' energy: -115.936 flat angles P-C4'-P energy: -71.483 tors. eta vs tors. theta energy: -70.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3044.945648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.945648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.945648 (E_RNA) where: Base-Base interactions energy: -2151.396 where: short stacking energy: -898.283 Base-Backbone interact. energy: -4.803 local terms energy: -888.746328 where: bonds (distance) C4'-P energy: -157.471 bonds (distance) P-C4' energy: -167.037 flat angles C4'-P-C4' energy: -193.936 flat angles P-C4'-P energy: -128.217 tors. eta vs tors. theta energy: -242.086 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: 404 Temperature: 0.950000 Total energy: -2953.593163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.593163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.593163 (E_RNA) where: Base-Base interactions energy: -2104.995 where: short stacking energy: -887.034 Base-Backbone interact. energy: -7.469 local terms energy: -841.128574 where: bonds (distance) C4'-P energy: -149.472 bonds (distance) P-C4' energy: -152.557 flat angles C4'-P-C4' energy: -182.090 flat angles P-C4'-P energy: -125.307 tors. eta vs tors. theta energy: -231.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2814.366870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.366870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.366870 (E_RNA) where: Base-Base interactions energy: -1962.394 where: short stacking energy: -852.682 Base-Backbone interact. energy: -3.125 local terms energy: -848.848291 where: bonds (distance) C4'-P energy: -143.313 bonds (distance) P-C4' energy: -162.555 flat angles C4'-P-C4' energy: -175.265 flat angles P-C4'-P energy: -127.264 tors. eta vs tors. theta energy: -240.450 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: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2768.743943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.743943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.743943 (E_RNA) where: Base-Base interactions energy: -1954.549 where: short stacking energy: -812.403 Base-Backbone interact. energy: -1.643 local terms energy: -812.551467 where: bonds (distance) C4'-P energy: -158.459 bonds (distance) P-C4' energy: -157.664 flat angles C4'-P-C4' energy: -163.664 flat angles P-C4'-P energy: -119.856 tors. eta vs tors. theta energy: -212.909 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: 404 Temperature: 1.100000 Total energy: -2597.935921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.935921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.935921 (E_RNA) where: Base-Base interactions energy: -1838.048 where: short stacking energy: -758.071 Base-Backbone interact. energy: -1.397 local terms energy: -758.490711 where: bonds (distance) C4'-P energy: -150.581 bonds (distance) P-C4' energy: -152.926 flat angles C4'-P-C4' energy: -163.714 flat angles P-C4'-P energy: -98.079 tors. eta vs tors. theta energy: -193.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2507.587326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.587326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.587326 (E_RNA) where: Base-Base interactions energy: -1747.422 where: short stacking energy: -734.140 Base-Backbone interact. energy: 0.275 local terms energy: -760.440458 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -145.887 flat angles C4'-P-C4' energy: -164.864 flat angles P-C4'-P energy: -115.442 tors. eta vs tors. theta energy: -203.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2369.131575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.131575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.131575 (E_RNA) where: Base-Base interactions energy: -1644.135 where: short stacking energy: -683.927 Base-Backbone interact. energy: -0.324 local terms energy: -724.673157 where: bonds (distance) C4'-P energy: -129.546 bonds (distance) P-C4' energy: -155.929 flat angles C4'-P-C4' energy: -164.604 flat angles P-C4'-P energy: -98.071 tors. eta vs tors. theta energy: -176.522 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: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2243.522789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.522789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.522789 (E_RNA) where: Base-Base interactions energy: -1596.053 where: short stacking energy: -648.185 Base-Backbone interact. energy: -2.027 local terms energy: -645.443331 where: bonds (distance) C4'-P energy: -112.546 bonds (distance) P-C4' energy: -117.390 flat angles C4'-P-C4' energy: -154.196 flat angles P-C4'-P energy: -89.562 tors. eta vs tors. theta energy: -171.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1708.643489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.643489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.643489 (E_RNA) where: Base-Base interactions energy: -1187.579 where: short stacking energy: -530.564 Base-Backbone interact. energy: 4.209 local terms energy: -525.272938 where: bonds (distance) C4'-P energy: -115.107 bonds (distance) P-C4' energy: -121.181 flat angles C4'-P-C4' energy: -114.690 flat angles P-C4'-P energy: -89.620 tors. eta vs tors. theta energy: -84.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1291.523431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.523431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.523431 (E_RNA) where: Base-Base interactions energy: -812.441 where: short stacking energy: -389.048 Base-Backbone interact. energy: -1.862 local terms energy: -477.220264 where: bonds (distance) C4'-P energy: -115.574 bonds (distance) P-C4' energy: -131.134 flat angles C4'-P-C4' energy: -116.178 flat angles P-C4'-P energy: -56.549 tors. eta vs tors. theta energy: -57.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3037.872279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.872279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.872279 (E_RNA) where: Base-Base interactions energy: -2185.260 where: short stacking energy: -921.688 Base-Backbone interact. energy: -5.036 local terms energy: -847.576431 where: bonds (distance) C4'-P energy: -158.445 bonds (distance) P-C4' energy: -155.084 flat angles C4'-P-C4' energy: -176.894 flat angles P-C4'-P energy: -119.452 tors. eta vs tors. theta energy: -237.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2975.320430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.320430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.320430 (E_RNA) where: Base-Base interactions energy: -2122.194 where: short stacking energy: -863.961 Base-Backbone interact. energy: -7.091 local terms energy: -846.036157 where: bonds (distance) C4'-P energy: -162.180 bonds (distance) P-C4' energy: -162.606 flat angles C4'-P-C4' energy: -175.040 flat angles P-C4'-P energy: -113.822 tors. eta vs tors. theta energy: -232.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2830.406806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.406806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.406806 (E_RNA) where: Base-Base interactions energy: -1993.571 where: short stacking energy: -875.417 Base-Backbone interact. energy: -1.629 local terms energy: -835.206547 where: bonds (distance) C4'-P energy: -150.566 bonds (distance) P-C4' energy: -154.083 flat angles C4'-P-C4' energy: -170.072 flat angles P-C4'-P energy: -113.302 tors. eta vs tors. theta energy: -247.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2747.353522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.353522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.353522 (E_RNA) where: Base-Base interactions energy: -1978.378 where: short stacking energy: -794.937 Base-Backbone interact. energy: -4.152 local terms energy: -764.823338 where: bonds (distance) C4'-P energy: -137.474 bonds (distance) P-C4' energy: -130.608 flat angles C4'-P-C4' energy: -174.791 flat angles P-C4'-P energy: -115.320 tors. eta vs tors. theta energy: -206.631 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: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2619.717257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.717257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.717257 (E_RNA) where: Base-Base interactions energy: -1880.007 where: short stacking energy: -766.565 Base-Backbone interact. energy: -2.649 local terms energy: -737.062051 where: bonds (distance) C4'-P energy: -130.648 bonds (distance) P-C4' energy: -141.044 flat angles C4'-P-C4' energy: -168.390 flat angles P-C4'-P energy: -96.641 tors. eta vs tors. theta energy: -200.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2448.105815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.105815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.105815 (E_RNA) where: Base-Base interactions energy: -1733.192 where: short stacking energy: -720.869 Base-Backbone interact. energy: 0.532 local terms energy: -715.446104 where: bonds (distance) C4'-P energy: -143.733 bonds (distance) P-C4' energy: -138.683 flat angles C4'-P-C4' energy: -155.651 flat angles P-C4'-P energy: -101.300 tors. eta vs tors. theta energy: -176.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2432.085923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.085923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.085923 (E_RNA) where: Base-Base interactions energy: -1741.933 where: short stacking energy: -731.432 Base-Backbone interact. energy: 3.484 local terms energy: -693.637648 where: bonds (distance) C4'-P energy: -127.979 bonds (distance) P-C4' energy: -124.372 flat angles C4'-P-C4' energy: -155.654 flat angles P-C4'-P energy: -98.012 tors. eta vs tors. theta energy: -187.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -2198.971344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.971344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.971344 (E_RNA) where: Base-Base interactions energy: -1564.209 where: short stacking energy: -635.226 Base-Backbone interact. energy: -4.310 local terms energy: -630.452602 where: bonds (distance) C4'-P energy: -124.067 bonds (distance) P-C4' energy: -119.609 flat angles C4'-P-C4' energy: -143.355 flat angles P-C4'-P energy: -80.928 tors. eta vs tors. theta energy: -162.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1701.134214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.134214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.134214 (E_RNA) where: Base-Base interactions energy: -1148.359 where: short stacking energy: -511.554 Base-Backbone interact. energy: -0.109 local terms energy: -552.667094 where: bonds (distance) C4'-P energy: -107.875 bonds (distance) P-C4' energy: -137.328 flat angles C4'-P-C4' energy: -132.389 flat angles P-C4'-P energy: -70.629 tors. eta vs tors. theta energy: -104.446 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: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1213.966406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.966406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.966406 (E_RNA) where: Base-Base interactions energy: -719.550 where: short stacking energy: -337.684 Base-Backbone interact. energy: 0.098 local terms energy: -494.514324 where: bonds (distance) C4'-P energy: -132.201 bonds (distance) P-C4' energy: -148.245 flat angles C4'-P-C4' energy: -118.297 flat angles P-C4'-P energy: -79.523 tors. eta vs tors. theta energy: -16.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3014.893401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.893401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.893401 (E_RNA) where: Base-Base interactions energy: -2159.118 where: short stacking energy: -861.588 Base-Backbone interact. energy: -2.043 local terms energy: -853.732497 where: bonds (distance) C4'-P energy: -157.431 bonds (distance) P-C4' energy: -156.169 flat angles C4'-P-C4' energy: -181.704 flat angles P-C4'-P energy: -122.552 tors. eta vs tors. theta energy: -235.877 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: 406 Temperature: 0.950000 Total energy: -2990.749422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.749422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.749422 (E_RNA) where: Base-Base interactions energy: -2136.751 where: short stacking energy: -862.364 Base-Backbone interact. energy: 0.070 local terms energy: -854.068325 where: bonds (distance) C4'-P energy: -155.284 bonds (distance) P-C4' energy: -164.992 flat angles C4'-P-C4' energy: -183.147 flat angles P-C4'-P energy: -122.647 tors. eta vs tors. theta energy: -227.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2834.540941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.540941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.540941 (E_RNA) where: Base-Base interactions energy: -2012.250 where: short stacking energy: -821.747 Base-Backbone interact. energy: 0.194 local terms energy: -822.484610 where: bonds (distance) C4'-P energy: -144.834 bonds (distance) P-C4' energy: -166.190 flat angles C4'-P-C4' energy: -183.549 flat angles P-C4'-P energy: -111.766 tors. eta vs tors. theta energy: -216.146 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: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2697.251490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.251490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.251490 (E_RNA) where: Base-Base interactions energy: -1904.771 where: short stacking energy: -832.756 Base-Backbone interact. energy: -3.902 local terms energy: -788.577941 where: bonds (distance) C4'-P energy: -130.715 bonds (distance) P-C4' energy: -149.158 flat angles C4'-P-C4' energy: -157.769 flat angles P-C4'-P energy: -120.414 tors. eta vs tors. theta energy: -230.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2595.005383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.005383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.005383 (E_RNA) where: Base-Base interactions energy: -1841.803 where: short stacking energy: -781.315 Base-Backbone interact. energy: 4.637 local terms energy: -757.839635 where: bonds (distance) C4'-P energy: -139.868 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -162.720 flat angles P-C4'-P energy: -108.008 tors. eta vs tors. theta energy: -204.261 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: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2460.035058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.035058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.035058 (E_RNA) where: Base-Base interactions energy: -1709.803 where: short stacking energy: -711.219 Base-Backbone interact. energy: 1.329 local terms energy: -751.560802 where: bonds (distance) C4'-P energy: -124.311 bonds (distance) P-C4' energy: -146.022 flat angles C4'-P-C4' energy: -173.806 flat angles P-C4'-P energy: -100.921 tors. eta vs tors. theta energy: -206.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2352.670472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.670472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.670472 (E_RNA) where: Base-Base interactions energy: -1681.036 where: short stacking energy: -710.245 Base-Backbone interact. energy: 1.328 local terms energy: -672.962357 where: bonds (distance) C4'-P energy: -127.217 bonds (distance) P-C4' energy: -139.184 flat angles C4'-P-C4' energy: -143.785 flat angles P-C4'-P energy: -98.721 tors. eta vs tors. theta energy: -164.056 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: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -2145.249065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.249065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.249065 (E_RNA) where: Base-Base interactions energy: -1471.270 where: short stacking energy: -652.840 Base-Backbone interact. energy: -0.984 local terms energy: -672.995133 where: bonds (distance) C4'-P energy: -121.171 bonds (distance) P-C4' energy: -130.791 flat angles C4'-P-C4' energy: -142.129 flat angles P-C4'-P energy: -112.916 tors. eta vs tors. theta energy: -165.988 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: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1636.742645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.742645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.742645 (E_RNA) where: Base-Base interactions energy: -1112.322 where: short stacking energy: -502.761 Base-Backbone interact. energy: -0.430 local terms energy: -523.991029 where: bonds (distance) C4'-P energy: -110.337 bonds (distance) P-C4' energy: -126.463 flat angles C4'-P-C4' energy: -120.154 flat angles P-C4'-P energy: -79.605 tors. eta vs tors. theta energy: -87.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1232.038440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.038440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.038440 (E_RNA) where: Base-Base interactions energy: -762.867 where: short stacking energy: -343.765 Base-Backbone interact. energy: -1.067 local terms energy: -468.105217 where: bonds (distance) C4'-P energy: -125.527 bonds (distance) P-C4' energy: -132.659 flat angles C4'-P-C4' energy: -123.998 flat angles P-C4'-P energy: -54.326 tors. eta vs tors. theta energy: -31.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3026.423297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.423297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.423297 (E_RNA) where: Base-Base interactions energy: -2151.331 where: short stacking energy: -903.290 Base-Backbone interact. energy: -6.848 local terms energy: -868.243455 where: bonds (distance) C4'-P energy: -167.125 bonds (distance) P-C4' energy: -162.619 flat angles C4'-P-C4' energy: -188.563 flat angles P-C4'-P energy: -111.792 tors. eta vs tors. theta energy: -238.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2948.009534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.009534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.009534 (E_RNA) where: Base-Base interactions energy: -2092.860 where: short stacking energy: -864.833 Base-Backbone interact. energy: -1.183 local terms energy: -853.966838 where: bonds (distance) C4'-P energy: -154.066 bonds (distance) P-C4' energy: -160.316 flat angles C4'-P-C4' energy: -182.429 flat angles P-C4'-P energy: -125.430 tors. eta vs tors. theta energy: -231.726 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: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2834.601586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.601586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.601586 (E_RNA) where: Base-Base interactions energy: -2051.886 where: short stacking energy: -832.492 Base-Backbone interact. energy: -0.152 local terms energy: -782.563165 where: bonds (distance) C4'-P energy: -128.587 bonds (distance) P-C4' energy: -147.037 flat angles C4'-P-C4' energy: -176.537 flat angles P-C4'-P energy: -107.568 tors. eta vs tors. theta energy: -222.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2691.379426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.379426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.379426 (E_RNA) where: Base-Base interactions energy: -1918.086 where: short stacking energy: -804.748 Base-Backbone interact. energy: -4.074 local terms energy: -769.219253 where: bonds (distance) C4'-P energy: -143.066 bonds (distance) P-C4' energy: -136.400 flat angles C4'-P-C4' energy: -166.526 flat angles P-C4'-P energy: -104.634 tors. eta vs tors. theta energy: -218.593 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: 407 Temperature: 1.100000 Total energy: -2627.370248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.370248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.370248 (E_RNA) where: Base-Base interactions energy: -1861.978 where: short stacking energy: -800.756 Base-Backbone interact. energy: 0.992 local terms energy: -766.384358 where: bonds (distance) C4'-P energy: -142.997 bonds (distance) P-C4' energy: -136.345 flat angles C4'-P-C4' energy: -168.662 flat angles P-C4'-P energy: -108.734 tors. eta vs tors. theta energy: -209.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2495.819450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.819450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.819450 (E_RNA) where: Base-Base interactions energy: -1766.839 where: short stacking energy: -769.869 Base-Backbone interact. energy: -4.040 local terms energy: -724.939953 where: bonds (distance) C4'-P energy: -128.805 bonds (distance) P-C4' energy: -136.116 flat angles C4'-P-C4' energy: -152.807 flat angles P-C4'-P energy: -96.400 tors. eta vs tors. theta energy: -210.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2312.689645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.689645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.689645 (E_RNA) where: Base-Base interactions energy: -1670.531 where: short stacking energy: -692.812 Base-Backbone interact. energy: 2.348 local terms energy: -644.506056 where: bonds (distance) C4'-P energy: -133.378 bonds (distance) P-C4' energy: -116.641 flat angles C4'-P-C4' energy: -142.947 flat angles P-C4'-P energy: -92.377 tors. eta vs tors. theta energy: -159.164 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: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -2213.947123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.947123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.947123 (E_RNA) where: Base-Base interactions energy: -1578.772 where: short stacking energy: -651.382 Base-Backbone interact. energy: -3.025 local terms energy: -632.149693 where: bonds (distance) C4'-P energy: -121.395 bonds (distance) P-C4' energy: -119.883 flat angles C4'-P-C4' energy: -138.963 flat angles P-C4'-P energy: -86.381 tors. eta vs tors. theta energy: -165.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1653.690298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.690298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.690298 (E_RNA) where: Base-Base interactions energy: -1076.836 where: short stacking energy: -539.435 Base-Backbone interact. energy: 1.110 local terms energy: -577.964092 where: bonds (distance) C4'-P energy: -119.035 bonds (distance) P-C4' energy: -131.233 flat angles C4'-P-C4' energy: -152.229 flat angles P-C4'-P energy: -70.300 tors. eta vs tors. theta energy: -105.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1431.486261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.486261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.486261 (E_RNA) where: Base-Base interactions energy: -924.748 where: short stacking energy: -435.347 Base-Backbone interact. energy: 2.176 local terms energy: -508.913967 where: bonds (distance) C4'-P energy: -128.320 bonds (distance) P-C4' energy: -122.102 flat angles C4'-P-C4' energy: -131.235 flat angles P-C4'-P energy: -65.771 tors. eta vs tors. theta energy: -61.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3065.401737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.401737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.401737 (E_RNA) where: Base-Base interactions energy: -2181.619 where: short stacking energy: -919.613 Base-Backbone interact. energy: -5.710 local terms energy: -878.072253 where: bonds (distance) C4'-P energy: -150.994 bonds (distance) P-C4' energy: -177.648 flat angles C4'-P-C4' energy: -186.331 flat angles P-C4'-P energy: -124.795 tors. eta vs tors. theta energy: -238.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2942.992581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.992581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.992581 (E_RNA) where: Base-Base interactions energy: -2109.115 where: short stacking energy: -872.056 Base-Backbone interact. energy: -3.149 local terms energy: -830.728796 where: bonds (distance) C4'-P energy: -147.993 bonds (distance) P-C4' energy: -155.120 flat angles C4'-P-C4' energy: -169.178 flat angles P-C4'-P energy: -129.994 tors. eta vs tors. theta energy: -228.444 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: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2847.146979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.146979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.146979 (E_RNA) where: Base-Base interactions energy: -2026.863 where: short stacking energy: -839.295 Base-Backbone interact. energy: -2.464 local terms energy: -817.819855 where: bonds (distance) C4'-P energy: -149.599 bonds (distance) P-C4' energy: -164.342 flat angles C4'-P-C4' energy: -164.951 flat angles P-C4'-P energy: -128.026 tors. eta vs tors. theta energy: -210.903 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: 4, replica: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2657.151932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.151932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.151932 (E_RNA) where: Base-Base interactions energy: -1879.219 where: short stacking energy: -765.624 Base-Backbone interact. energy: -0.250 local terms energy: -777.682187 where: bonds (distance) C4'-P energy: -130.925 bonds (distance) P-C4' energy: -148.328 flat angles C4'-P-C4' energy: -170.028 flat angles P-C4'-P energy: -126.689 tors. eta vs tors. theta energy: -201.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2630.377435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.377435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.377435 (E_RNA) where: Base-Base interactions energy: -1858.987 where: short stacking energy: -791.998 Base-Backbone interact. energy: -2.281 local terms energy: -769.108759 where: bonds (distance) C4'-P energy: -143.820 bonds (distance) P-C4' energy: -130.655 flat angles C4'-P-C4' energy: -175.404 flat angles P-C4'-P energy: -106.896 tors. eta vs tors. theta energy: -212.333 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: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2521.348464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.348464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.348464 (E_RNA) where: Base-Base interactions energy: -1777.470 where: short stacking energy: -738.825 Base-Backbone interact. energy: 4.102 local terms energy: -747.980505 where: bonds (distance) C4'-P energy: -132.648 bonds (distance) P-C4' energy: -149.937 flat angles C4'-P-C4' energy: -176.672 flat angles P-C4'-P energy: -91.691 tors. eta vs tors. theta energy: -197.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2290.242013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.242013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.242013 (E_RNA) where: Base-Base interactions energy: -1634.924 where: short stacking energy: -657.426 Base-Backbone interact. energy: -1.979 local terms energy: -653.339090 where: bonds (distance) C4'-P energy: -131.767 bonds (distance) P-C4' energy: -131.037 flat angles C4'-P-C4' energy: -146.724 flat angles P-C4'-P energy: -92.227 tors. eta vs tors. theta energy: -151.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -2153.915315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.915315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.915315 (E_RNA) where: Base-Base interactions energy: -1523.283 where: short stacking energy: -644.376 Base-Backbone interact. energy: -2.942 local terms energy: -627.690401 where: bonds (distance) C4'-P energy: -122.932 bonds (distance) P-C4' energy: -122.923 flat angles C4'-P-C4' energy: -146.737 flat angles P-C4'-P energy: -75.702 tors. eta vs tors. theta energy: -159.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1723.693297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.693297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.693297 (E_RNA) where: Base-Base interactions energy: -1160.242 where: short stacking energy: -505.664 Base-Backbone interact. energy: -1.719 local terms energy: -561.731833 where: bonds (distance) C4'-P energy: -120.719 bonds (distance) P-C4' energy: -136.608 flat angles C4'-P-C4' energy: -139.608 flat angles P-C4'-P energy: -59.870 tors. eta vs tors. theta energy: -104.927 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: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1332.661386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.661386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.661386 (E_RNA) where: Base-Base interactions energy: -881.067 where: short stacking energy: -427.411 Base-Backbone interact. energy: 6.873 local terms energy: -458.467146 where: bonds (distance) C4'-P energy: -131.862 bonds (distance) P-C4' energy: -115.148 flat angles C4'-P-C4' energy: -90.679 flat angles P-C4'-P energy: -71.738 tors. eta vs tors. theta energy: -49.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3036.051628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.051628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.051628 (E_RNA) where: Base-Base interactions energy: -2173.986 where: short stacking energy: -921.008 Base-Backbone interact. energy: 0.648 local terms energy: -862.714212 where: bonds (distance) C4'-P energy: -155.030 bonds (distance) P-C4' energy: -164.104 flat angles C4'-P-C4' energy: -172.557 flat angles P-C4'-P energy: -128.044 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: 409 Temperature: 0.950000 Total energy: -2967.698863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.698863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.698863 (E_RNA) where: Base-Base interactions energy: -2136.113 where: short stacking energy: -871.264 Base-Backbone interact. energy: -2.779 local terms energy: -828.806616 where: bonds (distance) C4'-P energy: -157.527 bonds (distance) P-C4' energy: -144.941 flat angles C4'-P-C4' energy: -175.601 flat angles P-C4'-P energy: -122.446 tors. eta vs tors. theta energy: -228.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2838.224198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.224198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.224198 (E_RNA) where: Base-Base interactions energy: -2018.516 where: short stacking energy: -819.005 Base-Backbone interact. energy: -0.038 local terms energy: -819.669324 where: bonds (distance) C4'-P energy: -154.107 bonds (distance) P-C4' energy: -155.852 flat angles C4'-P-C4' energy: -176.201 flat angles P-C4'-P energy: -118.469 tors. eta vs tors. theta energy: -215.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2777.750105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.750105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.750105 (E_RNA) where: Base-Base interactions energy: -1983.778 where: short stacking energy: -823.315 Base-Backbone interact. energy: -3.918 local terms energy: -790.054620 where: bonds (distance) C4'-P energy: -133.749 bonds (distance) P-C4' energy: -139.187 flat angles C4'-P-C4' energy: -185.854 flat angles P-C4'-P energy: -117.971 tors. eta vs tors. theta energy: -213.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2628.240217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.240217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.240217 (E_RNA) where: Base-Base interactions energy: -1851.070 where: short stacking energy: -804.691 Base-Backbone interact. energy: -1.739 local terms energy: -775.431473 where: bonds (distance) C4'-P energy: -146.327 bonds (distance) P-C4' energy: -142.988 flat angles C4'-P-C4' energy: -157.867 flat angles P-C4'-P energy: -106.249 tors. eta vs tors. theta energy: -222.000 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: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2494.129950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.129950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.129950 (E_RNA) where: Base-Base interactions energy: -1766.518 where: short stacking energy: -767.119 Base-Backbone interact. energy: -0.475 local terms energy: -727.136803 where: bonds (distance) C4'-P energy: -146.583 bonds (distance) P-C4' energy: -139.098 flat angles C4'-P-C4' energy: -174.211 flat angles P-C4'-P energy: -75.970 tors. eta vs tors. theta energy: -191.275 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: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2312.017280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.017280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.017280 (E_RNA) where: Base-Base interactions energy: -1615.005 where: short stacking energy: -662.155 Base-Backbone interact. energy: -1.275 local terms energy: -695.737443 where: bonds (distance) C4'-P energy: -139.340 bonds (distance) P-C4' energy: -129.931 flat angles C4'-P-C4' energy: -149.009 flat angles P-C4'-P energy: -105.574 tors. eta vs tors. theta energy: -171.882 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: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -2150.365911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.365911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.365911 (E_RNA) where: Base-Base interactions energy: -1515.694 where: short stacking energy: -634.888 Base-Backbone interact. energy: -4.330 local terms energy: -630.341901 where: bonds (distance) C4'-P energy: -100.249 bonds (distance) P-C4' energy: -128.891 flat angles C4'-P-C4' energy: -140.202 flat angles P-C4'-P energy: -102.334 tors. eta vs tors. theta energy: -158.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1745.743225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.743225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.743225 (E_RNA) where: Base-Base interactions energy: -1181.633 where: short stacking energy: -518.018 Base-Backbone interact. energy: -2.960 local terms energy: -561.150358 where: bonds (distance) C4'-P energy: -124.552 bonds (distance) P-C4' energy: -135.449 flat angles C4'-P-C4' energy: -141.284 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -86.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1267.365376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.365376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.365376 (E_RNA) where: Base-Base interactions energy: -757.049 where: short stacking energy: -360.740 Base-Backbone interact. energy: -1.427 local terms energy: -508.889403 where: bonds (distance) C4'-P energy: -125.478 bonds (distance) P-C4' energy: -144.401 flat angles C4'-P-C4' energy: -140.852 flat angles P-C4'-P energy: -73.638 tors. eta vs tors. theta energy: -24.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3046.505325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.505325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.505325 (E_RNA) where: Base-Base interactions energy: -2180.122 where: short stacking energy: -921.066 Base-Backbone interact. energy: -0.546 local terms energy: -865.837450 where: bonds (distance) C4'-P energy: -156.066 bonds (distance) P-C4' energy: -158.556 flat angles C4'-P-C4' energy: -186.526 flat angles P-C4'-P energy: -128.997 tors. eta vs tors. theta energy: -235.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2989.817757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.817757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.817757 (E_RNA) where: Base-Base interactions energy: -2164.914 where: short stacking energy: -918.641 Base-Backbone interact. energy: -7.562 local terms energy: -817.340997 where: bonds (distance) C4'-P energy: -131.161 bonds (distance) P-C4' energy: -143.086 flat angles C4'-P-C4' energy: -183.701 flat angles P-C4'-P energy: -130.072 tors. eta vs tors. theta energy: -229.321 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: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2829.190009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.190009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.190009 (E_RNA) where: Base-Base interactions energy: -1997.298 where: short stacking energy: -818.130 Base-Backbone interact. energy: -8.322 local terms energy: -823.569902 where: bonds (distance) C4'-P energy: -143.251 bonds (distance) P-C4' energy: -159.284 flat angles C4'-P-C4' energy: -185.834 flat angles P-C4'-P energy: -121.149 tors. eta vs tors. theta energy: -214.051 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: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2750.739805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.739805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.739805 (E_RNA) where: Base-Base interactions energy: -1950.760 where: short stacking energy: -793.322 Base-Backbone interact. energy: 0.707 local terms energy: -800.686371 where: bonds (distance) C4'-P energy: -153.029 bonds (distance) P-C4' energy: -150.184 flat angles C4'-P-C4' energy: -177.462 flat angles P-C4'-P energy: -111.415 tors. eta vs tors. theta energy: -208.597 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: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2604.294161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.294161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.294161 (E_RNA) where: Base-Base interactions energy: -1810.187 where: short stacking energy: -788.238 Base-Backbone interact. energy: -1.028 local terms energy: -793.079321 where: bonds (distance) C4'-P energy: -136.421 bonds (distance) P-C4' energy: -157.309 flat angles C4'-P-C4' energy: -170.358 flat angles P-C4'-P energy: -118.814 tors. eta vs tors. theta energy: -210.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2465.709660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.709660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.709660 (E_RNA) where: Base-Base interactions energy: -1738.012 where: short stacking energy: -716.477 Base-Backbone interact. energy: -4.346 local terms energy: -723.351849 where: bonds (distance) C4'-P energy: -132.014 bonds (distance) P-C4' energy: -124.938 flat angles C4'-P-C4' energy: -177.966 flat angles P-C4'-P energy: -100.861 tors. eta vs tors. theta energy: -187.573 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: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2278.690640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.690640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.690640 (E_RNA) where: Base-Base interactions energy: -1603.885 where: short stacking energy: -717.332 Base-Backbone interact. energy: 4.932 local terms energy: -679.738100 where: bonds (distance) C4'-P energy: -117.704 bonds (distance) P-C4' energy: -120.560 flat angles C4'-P-C4' energy: -155.806 flat angles P-C4'-P energy: -106.006 tors. eta vs tors. theta energy: -179.663 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: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -2174.538218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.538218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.538218 (E_RNA) where: Base-Base interactions energy: -1536.793 where: short stacking energy: -618.806 Base-Backbone interact. energy: 3.497 local terms energy: -641.241701 where: bonds (distance) C4'-P energy: -130.828 bonds (distance) P-C4' energy: -155.957 flat angles C4'-P-C4' energy: -146.290 flat angles P-C4'-P energy: -83.983 tors. eta vs tors. theta energy: -124.184 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: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1829.698040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.698040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.698040 (E_RNA) where: Base-Base interactions energy: -1258.504 where: short stacking energy: -551.156 Base-Backbone interact. energy: 4.848 local terms energy: -576.042537 where: bonds (distance) C4'-P energy: -104.868 bonds (distance) P-C4' energy: -130.241 flat angles C4'-P-C4' energy: -137.941 flat angles P-C4'-P energy: -93.198 tors. eta vs tors. theta energy: -109.794 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: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1355.652132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.652132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.652132 (E_RNA) where: Base-Base interactions energy: -844.085 where: short stacking energy: -408.116 Base-Backbone interact. energy: 1.730 local terms energy: -513.296993 where: bonds (distance) C4'-P energy: -131.936 bonds (distance) P-C4' energy: -116.277 flat angles C4'-P-C4' energy: -133.332 flat angles P-C4'-P energy: -68.401 tors. eta vs tors. theta energy: -63.351 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: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3063.128044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.128044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.128044 (E_RNA) where: Base-Base interactions energy: -2173.637 where: short stacking energy: -911.083 Base-Backbone interact. energy: -7.168 local terms energy: -882.322813 where: bonds (distance) C4'-P energy: -157.140 bonds (distance) P-C4' energy: -159.391 flat angles C4'-P-C4' energy: -189.555 flat angles P-C4'-P energy: -132.111 tors. eta vs tors. theta energy: -244.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2996.551133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.551133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.551133 (E_RNA) where: Base-Base interactions energy: -2146.819 where: short stacking energy: -884.468 Base-Backbone interact. energy: -6.383 local terms energy: -843.348642 where: bonds (distance) C4'-P energy: -150.639 bonds (distance) P-C4' energy: -169.422 flat angles C4'-P-C4' energy: -171.378 flat angles P-C4'-P energy: -117.950 tors. eta vs tors. theta energy: -233.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2788.836817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.836817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.836817 (E_RNA) where: Base-Base interactions energy: -2014.825 where: short stacking energy: -803.781 Base-Backbone interact. energy: -2.234 local terms energy: -771.778349 where: bonds (distance) C4'-P energy: -140.931 bonds (distance) P-C4' energy: -142.670 flat angles C4'-P-C4' energy: -169.102 flat angles P-C4'-P energy: -114.451 tors. eta vs tors. theta energy: -204.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2767.099131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.099131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.099131 (E_RNA) where: Base-Base interactions energy: -1981.975 where: short stacking energy: -842.626 Base-Backbone interact. energy: -1.555 local terms energy: -783.569035 where: bonds (distance) C4'-P energy: -133.353 bonds (distance) P-C4' energy: -148.509 flat angles C4'-P-C4' energy: -163.381 flat angles P-C4'-P energy: -125.245 tors. eta vs tors. theta energy: -213.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2624.357334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.357334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.357334 (E_RNA) where: Base-Base interactions energy: -1831.194 where: short stacking energy: -793.708 Base-Backbone interact. energy: -1.699 local terms energy: -791.464267 where: bonds (distance) C4'-P energy: -140.770 bonds (distance) P-C4' energy: -150.298 flat angles C4'-P-C4' energy: -153.928 flat angles P-C4'-P energy: -120.262 tors. eta vs tors. theta energy: -226.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2457.101209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.101209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.101209 (E_RNA) where: Base-Base interactions energy: -1730.560 where: short stacking energy: -712.300 Base-Backbone interact. energy: -1.595 local terms energy: -724.945996 where: bonds (distance) C4'-P energy: -128.032 bonds (distance) P-C4' energy: -135.859 flat angles C4'-P-C4' energy: -168.295 flat angles P-C4'-P energy: -100.311 tors. eta vs tors. theta energy: -192.450 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: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2250.242689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.242689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.242689 (E_RNA) where: Base-Base interactions energy: -1571.694 where: short stacking energy: -684.291 Base-Backbone interact. energy: -1.642 local terms energy: -676.906732 where: bonds (distance) C4'-P energy: -119.110 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -152.939 flat angles P-C4'-P energy: -102.826 tors. eta vs tors. theta energy: -183.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -2199.629420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.629420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.629420 (E_RNA) where: Base-Base interactions energy: -1548.263 where: short stacking energy: -634.372 Base-Backbone interact. energy: -3.552 local terms energy: -647.813936 where: bonds (distance) C4'-P energy: -133.027 bonds (distance) P-C4' energy: -135.809 flat angles C4'-P-C4' energy: -149.520 flat angles P-C4'-P energy: -88.777 tors. eta vs tors. theta energy: -140.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1793.991070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.991070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.991070 (E_RNA) where: Base-Base interactions energy: -1212.054 where: short stacking energy: -553.737 Base-Backbone interact. energy: -2.553 local terms energy: -579.384439 where: bonds (distance) C4'-P energy: -111.971 bonds (distance) P-C4' energy: -138.131 flat angles C4'-P-C4' energy: -142.600 flat angles P-C4'-P energy: -82.564 tors. eta vs tors. theta energy: -104.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1325.923569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.923569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.923569 (E_RNA) where: Base-Base interactions energy: -852.893 where: short stacking energy: -394.995 Base-Backbone interact. energy: -2.511 local terms energy: -470.519600 where: bonds (distance) C4'-P energy: -135.213 bonds (distance) P-C4' energy: -107.306 flat angles C4'-P-C4' energy: -120.895 flat angles P-C4'-P energy: -65.562 tors. eta vs tors. theta energy: -41.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3064.173512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.173512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.173512 (E_RNA) where: Base-Base interactions energy: -2184.279 where: short stacking energy: -899.362 Base-Backbone interact. energy: -4.050 local terms energy: -875.844980 where: bonds (distance) C4'-P energy: -157.875 bonds (distance) P-C4' energy: -163.089 flat angles C4'-P-C4' energy: -186.764 flat angles P-C4'-P energy: -131.086 tors. eta vs tors. theta energy: -237.031 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: 412 Temperature: 0.950000 Total energy: -2978.561094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.561094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.561094 (E_RNA) where: Base-Base interactions energy: -2115.741 where: short stacking energy: -878.029 Base-Backbone interact. energy: -3.002 local terms energy: -859.818144 where: bonds (distance) C4'-P energy: -133.713 bonds (distance) P-C4' energy: -165.851 flat angles C4'-P-C4' energy: -188.197 flat angles P-C4'-P energy: -128.679 tors. eta vs tors. theta energy: -243.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2810.467135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.467135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.467135 (E_RNA) where: Base-Base interactions energy: -2010.044 where: short stacking energy: -806.984 Base-Backbone interact. energy: -2.158 local terms energy: -798.265074 where: bonds (distance) C4'-P energy: -142.038 bonds (distance) P-C4' energy: -158.267 flat angles C4'-P-C4' energy: -179.475 flat angles P-C4'-P energy: -92.385 tors. eta vs tors. theta energy: -226.099 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: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2779.540419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.540419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.540419 (E_RNA) where: Base-Base interactions energy: -1994.651 where: short stacking energy: -829.639 Base-Backbone interact. energy: 3.559 local terms energy: -788.448731 where: bonds (distance) C4'-P energy: -152.373 bonds (distance) P-C4' energy: -128.462 flat angles C4'-P-C4' energy: -171.994 flat angles P-C4'-P energy: -118.625 tors. eta vs tors. theta energy: -216.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2626.294464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.294464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.294464 (E_RNA) where: Base-Base interactions energy: -1840.022 where: short stacking energy: -771.770 Base-Backbone interact. energy: -1.010 local terms energy: -785.262015 where: bonds (distance) C4'-P energy: -133.372 bonds (distance) P-C4' energy: -157.003 flat angles C4'-P-C4' energy: -160.364 flat angles P-C4'-P energy: -123.149 tors. eta vs tors. theta energy: -211.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2441.000116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.000116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.000116 (E_RNA) where: Base-Base interactions energy: -1708.933 where: short stacking energy: -726.284 Base-Backbone interact. energy: 1.709 local terms energy: -733.776629 where: bonds (distance) C4'-P energy: -148.014 bonds (distance) P-C4' energy: -134.891 flat angles C4'-P-C4' energy: -165.531 flat angles P-C4'-P energy: -87.349 tors. eta vs tors. theta energy: -197.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2249.481650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.481650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.481650 (E_RNA) where: Base-Base interactions energy: -1578.724 where: short stacking energy: -675.345 Base-Backbone interact. energy: -0.930 local terms energy: -669.827062 where: bonds (distance) C4'-P energy: -134.222 bonds (distance) P-C4' energy: -136.674 flat angles C4'-P-C4' energy: -153.384 flat angles P-C4'-P energy: -85.286 tors. eta vs tors. theta energy: -160.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -2233.001427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.001427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.001427 (E_RNA) where: Base-Base interactions energy: -1586.820 where: short stacking energy: -675.961 Base-Backbone interact. energy: -2.879 local terms energy: -643.302717 where: bonds (distance) C4'-P energy: -123.673 bonds (distance) P-C4' energy: -121.803 flat angles C4'-P-C4' energy: -145.899 flat angles P-C4'-P energy: -73.750 tors. eta vs tors. theta energy: -178.178 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: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1739.400842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.400842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.400842 (E_RNA) where: Base-Base interactions energy: -1163.458 where: short stacking energy: -506.897 Base-Backbone interact. energy: 3.448 local terms energy: -579.390616 where: bonds (distance) C4'-P energy: -124.480 bonds (distance) P-C4' energy: -140.010 flat angles C4'-P-C4' energy: -132.472 flat angles P-C4'-P energy: -100.338 tors. eta vs tors. theta energy: -82.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1296.095148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.095148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.095148 (E_RNA) where: Base-Base interactions energy: -788.590 where: short stacking energy: -377.568 Base-Backbone interact. energy: 0.307 local terms energy: -507.812574 where: bonds (distance) C4'-P energy: -125.272 bonds (distance) P-C4' energy: -138.091 flat angles C4'-P-C4' energy: -113.637 flat angles P-C4'-P energy: -64.589 tors. eta vs tors. theta energy: -66.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3056.302584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.302584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.302584 (E_RNA) where: Base-Base interactions energy: -2186.452 where: short stacking energy: -902.880 Base-Backbone interact. energy: -6.449 local terms energy: -863.401411 where: bonds (distance) C4'-P energy: -164.394 bonds (distance) P-C4' energy: -162.053 flat angles C4'-P-C4' energy: -175.770 flat angles P-C4'-P energy: -113.369 tors. eta vs tors. theta energy: -247.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2939.552721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.552721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.552721 (E_RNA) where: Base-Base interactions energy: -2084.103 where: short stacking energy: -865.101 Base-Backbone interact. energy: -3.836 local terms energy: -851.613383 where: bonds (distance) C4'-P energy: -155.954 bonds (distance) P-C4' energy: -152.896 flat angles C4'-P-C4' energy: -183.009 flat angles P-C4'-P energy: -134.120 tors. eta vs tors. theta energy: -225.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2833.013678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.013678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.013678 (E_RNA) where: Base-Base interactions energy: -2036.337 where: short stacking energy: -841.635 Base-Backbone interact. energy: -1.785 local terms energy: -794.891773 where: bonds (distance) C4'-P energy: -141.706 bonds (distance) P-C4' energy: -148.007 flat angles C4'-P-C4' energy: -163.109 flat angles P-C4'-P energy: -114.892 tors. eta vs tors. theta energy: -227.179 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: 4, replica: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2740.427441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.427441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.427441 (E_RNA) where: Base-Base interactions energy: -1968.919 where: short stacking energy: -825.620 Base-Backbone interact. energy: 2.516 local terms energy: -774.024513 where: bonds (distance) C4'-P energy: -144.122 bonds (distance) P-C4' energy: -145.478 flat angles C4'-P-C4' energy: -165.942 flat angles P-C4'-P energy: -109.644 tors. eta vs tors. theta energy: -208.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2648.278653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.278653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.278653 (E_RNA) where: Base-Base interactions energy: -1848.702 where: short stacking energy: -812.424 Base-Backbone interact. energy: 0.460 local terms energy: -800.036661 where: bonds (distance) C4'-P energy: -148.954 bonds (distance) P-C4' energy: -138.149 flat angles C4'-P-C4' energy: -171.656 flat angles P-C4'-P energy: -119.115 tors. eta vs tors. theta energy: -222.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2452.179767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.179767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.179767 (E_RNA) where: Base-Base interactions energy: -1696.372 where: short stacking energy: -719.181 Base-Backbone interact. energy: 0.812 local terms energy: -756.619621 where: bonds (distance) C4'-P energy: -151.976 bonds (distance) P-C4' energy: -143.799 flat angles C4'-P-C4' energy: -164.649 flat angles P-C4'-P energy: -103.555 tors. eta vs tors. theta energy: -192.640 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: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2226.546815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.546815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.546815 (E_RNA) where: Base-Base interactions energy: -1555.492 where: short stacking energy: -671.316 Base-Backbone interact. energy: 0.247 local terms energy: -671.301213 where: bonds (distance) C4'-P energy: -124.246 bonds (distance) P-C4' energy: -143.869 flat angles C4'-P-C4' energy: -146.925 flat angles P-C4'-P energy: -95.585 tors. eta vs tors. theta energy: -160.677 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: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -2238.040718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.040718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.040718 (E_RNA) where: Base-Base interactions energy: -1569.629 where: short stacking energy: -679.186 Base-Backbone interact. energy: -1.381 local terms energy: -667.031057 where: bonds (distance) C4'-P energy: -154.417 bonds (distance) P-C4' energy: -118.153 flat angles C4'-P-C4' energy: -147.622 flat angles P-C4'-P energy: -84.926 tors. eta vs tors. theta energy: -161.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1719.570682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.570682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.570682 (E_RNA) where: Base-Base interactions energy: -1118.955 where: short stacking energy: -519.117 Base-Backbone interact. energy: -1.761 local terms energy: -598.855056 where: bonds (distance) C4'-P energy: -122.230 bonds (distance) P-C4' energy: -137.713 flat angles C4'-P-C4' energy: -152.699 flat angles P-C4'-P energy: -91.119 tors. eta vs tors. theta energy: -95.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1229.079529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.079529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.079529 (E_RNA) where: Base-Base interactions energy: -759.841 where: short stacking energy: -358.106 Base-Backbone interact. energy: -5.462 local terms energy: -463.776467 where: bonds (distance) C4'-P energy: -131.274 bonds (distance) P-C4' energy: -122.727 flat angles C4'-P-C4' energy: -118.963 flat angles P-C4'-P energy: -65.861 tors. eta vs tors. theta energy: -24.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3036.427080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.427080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.427080 (E_RNA) where: Base-Base interactions energy: -2178.154 where: short stacking energy: -913.625 Base-Backbone interact. energy: -6.126 local terms energy: -852.146911 where: bonds (distance) C4'-P energy: -149.577 bonds (distance) P-C4' energy: -157.559 flat angles C4'-P-C4' energy: -177.642 flat angles P-C4'-P energy: -123.327 tors. eta vs tors. theta energy: -244.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2976.328728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.328728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.328728 (E_RNA) where: Base-Base interactions energy: -2134.848 where: short stacking energy: -871.865 Base-Backbone interact. energy: 4.373 local terms energy: -845.853649 where: bonds (distance) C4'-P energy: -146.418 bonds (distance) P-C4' energy: -160.028 flat angles C4'-P-C4' energy: -189.618 flat angles P-C4'-P energy: -129.933 tors. eta vs tors. theta energy: -219.856 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: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2838.485324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.485324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.485324 (E_RNA) where: Base-Base interactions energy: -1986.762 where: short stacking energy: -812.902 Base-Backbone interact. energy: -5.319 local terms energy: -846.403428 where: bonds (distance) C4'-P energy: -159.998 bonds (distance) P-C4' energy: -153.073 flat angles C4'-P-C4' energy: -181.153 flat angles P-C4'-P energy: -131.641 tors. eta vs tors. theta energy: -220.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2748.079498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.079498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.079498 (E_RNA) where: Base-Base interactions energy: -1961.515 where: short stacking energy: -809.775 Base-Backbone interact. energy: -0.176 local terms energy: -786.388384 where: bonds (distance) C4'-P energy: -136.514 bonds (distance) P-C4' energy: -149.242 flat angles C4'-P-C4' energy: -175.234 flat angles P-C4'-P energy: -112.067 tors. eta vs tors. theta energy: -213.330 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: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2574.123490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.123490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.123490 (E_RNA) where: Base-Base interactions energy: -1846.479 where: short stacking energy: -810.920 Base-Backbone interact. energy: -1.372 local terms energy: -726.273147 where: bonds (distance) C4'-P energy: -116.136 bonds (distance) P-C4' energy: -132.756 flat angles C4'-P-C4' energy: -162.155 flat angles P-C4'-P energy: -105.087 tors. eta vs tors. theta energy: -210.139 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: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2443.186095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.186095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.186095 (E_RNA) where: Base-Base interactions energy: -1737.726 where: short stacking energy: -746.100 Base-Backbone interact. energy: -2.299 local terms energy: -703.160766 where: bonds (distance) C4'-P energy: -118.920 bonds (distance) P-C4' energy: -153.106 flat angles C4'-P-C4' energy: -153.843 flat angles P-C4'-P energy: -89.171 tors. eta vs tors. theta energy: -188.121 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: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2360.478949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.478949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.478949 (E_RNA) where: Base-Base interactions energy: -1668.096 where: short stacking energy: -717.064 Base-Backbone interact. energy: -2.531 local terms energy: -689.852139 where: bonds (distance) C4'-P energy: -127.101 bonds (distance) P-C4' energy: -134.256 flat angles C4'-P-C4' energy: -149.058 flat angles P-C4'-P energy: -101.029 tors. eta vs tors. theta energy: -178.409 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: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -2222.110840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.110840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.110840 (E_RNA) where: Base-Base interactions energy: -1557.976 where: short stacking energy: -662.839 Base-Backbone interact. energy: 1.975 local terms energy: -666.109960 where: bonds (distance) C4'-P energy: -124.769 bonds (distance) P-C4' energy: -123.679 flat angles C4'-P-C4' energy: -160.954 flat angles P-C4'-P energy: -94.893 tors. eta vs tors. theta energy: -161.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1672.132822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.132822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.132822 (E_RNA) where: Base-Base interactions energy: -1096.653 where: short stacking energy: -525.836 Base-Backbone interact. energy: -3.018 local terms energy: -572.461300 where: bonds (distance) C4'-P energy: -131.136 bonds (distance) P-C4' energy: -127.153 flat angles C4'-P-C4' energy: -122.578 flat angles P-C4'-P energy: -91.854 tors. eta vs tors. theta energy: -99.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1316.672857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.672857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.672857 (E_RNA) where: Base-Base interactions energy: -816.699 where: short stacking energy: -392.197 Base-Backbone interact. energy: -0.851 local terms energy: -499.122619 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -137.829 flat angles C4'-P-C4' energy: -107.586 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -47.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3041.309346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.309346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.309346 (E_RNA) where: Base-Base interactions energy: -2191.787 where: short stacking energy: -908.241 Base-Backbone interact. energy: -4.205 local terms energy: -845.316967 where: bonds (distance) C4'-P energy: -138.039 bonds (distance) P-C4' energy: -160.925 flat angles C4'-P-C4' energy: -188.047 flat angles P-C4'-P energy: -117.518 tors. eta vs tors. theta energy: -240.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2965.943143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.943143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.943143 (E_RNA) where: Base-Base interactions energy: -2111.153 where: short stacking energy: -890.382 Base-Backbone interact. energy: -0.781 local terms energy: -854.009673 where: bonds (distance) C4'-P energy: -151.319 bonds (distance) P-C4' energy: -151.675 flat angles C4'-P-C4' energy: -180.552 flat angles P-C4'-P energy: -137.071 tors. eta vs tors. theta energy: -233.392 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: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2797.716544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.716544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.716544 (E_RNA) where: Base-Base interactions energy: -1982.327 where: short stacking energy: -816.817 Base-Backbone interact. energy: -3.372 local terms energy: -812.017509 where: bonds (distance) C4'-P energy: -140.870 bonds (distance) P-C4' energy: -150.556 flat angles C4'-P-C4' energy: -176.606 flat angles P-C4'-P energy: -122.570 tors. eta vs tors. theta energy: -221.415 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: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2748.896142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.896142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.896142 (E_RNA) where: Base-Base interactions energy: -1957.542 where: short stacking energy: -808.339 Base-Backbone interact. energy: -1.981 local terms energy: -789.373127 where: bonds (distance) C4'-P energy: -146.970 bonds (distance) P-C4' energy: -148.656 flat angles C4'-P-C4' energy: -170.396 flat angles P-C4'-P energy: -115.372 tors. eta vs tors. theta energy: -207.980 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: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2642.021596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.021596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.021596 (E_RNA) where: Base-Base interactions energy: -1837.860 where: short stacking energy: -792.070 Base-Backbone interact. energy: -2.047 local terms energy: -802.115069 where: bonds (distance) C4'-P energy: -150.631 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -172.830 flat angles P-C4'-P energy: -119.522 tors. eta vs tors. theta energy: -213.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2383.057502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.057502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.057502 (E_RNA) where: Base-Base interactions energy: -1659.379 where: short stacking energy: -723.815 Base-Backbone interact. energy: -2.895 local terms energy: -720.784129 where: bonds (distance) C4'-P energy: -144.698 bonds (distance) P-C4' energy: -140.357 flat angles C4'-P-C4' energy: -142.736 flat angles P-C4'-P energy: -102.610 tors. eta vs tors. theta energy: -190.383 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: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2340.595343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.595343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.595343 (E_RNA) where: Base-Base interactions energy: -1638.390 where: short stacking energy: -716.168 Base-Backbone interact. energy: 2.019 local terms energy: -704.224163 where: bonds (distance) C4'-P energy: -120.114 bonds (distance) P-C4' energy: -144.792 flat angles C4'-P-C4' energy: -139.415 flat angles P-C4'-P energy: -118.025 tors. eta vs tors. theta energy: -181.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -2200.218620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.218620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.218620 (E_RNA) where: Base-Base interactions energy: -1531.594 where: short stacking energy: -665.338 Base-Backbone interact. energy: -1.483 local terms energy: -667.141470 where: bonds (distance) C4'-P energy: -131.063 bonds (distance) P-C4' energy: -137.977 flat angles C4'-P-C4' energy: -155.556 flat angles P-C4'-P energy: -81.217 tors. eta vs tors. theta energy: -161.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1669.623828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.623828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.623828 (E_RNA) where: Base-Base interactions energy: -1094.504 where: short stacking energy: -500.419 Base-Backbone interact. energy: -1.956 local terms energy: -573.163677 where: bonds (distance) C4'-P energy: -115.699 bonds (distance) P-C4' energy: -154.045 flat angles C4'-P-C4' energy: -129.764 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -106.192 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: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1338.563005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.563005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.563005 (E_RNA) where: Base-Base interactions energy: -855.156 where: short stacking energy: -416.355 Base-Backbone interact. energy: 2.301 local terms energy: -485.707903 where: bonds (distance) C4'-P energy: -108.614 bonds (distance) P-C4' energy: -116.406 flat angles C4'-P-C4' energy: -121.945 flat angles P-C4'-P energy: -76.528 tors. eta vs tors. theta energy: -62.215 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: 1, replica: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3037.902914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.902914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.902914 (E_RNA) where: Base-Base interactions energy: -2168.051 where: short stacking energy: -898.787 Base-Backbone interact. energy: -5.403 local terms energy: -864.449042 where: bonds (distance) C4'-P energy: -161.640 bonds (distance) P-C4' energy: -165.774 flat angles C4'-P-C4' energy: -180.852 flat angles P-C4'-P energy: -117.972 tors. eta vs tors. theta energy: -238.211 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: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2931.892033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.892033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.892033 (E_RNA) where: Base-Base interactions energy: -2084.051 where: short stacking energy: -873.627 Base-Backbone interact. energy: -2.189 local terms energy: -845.651931 where: bonds (distance) C4'-P energy: -166.738 bonds (distance) P-C4' energy: -154.892 flat angles C4'-P-C4' energy: -173.597 flat angles P-C4'-P energy: -125.208 tors. eta vs tors. theta energy: -225.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2798.046139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.046139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.046139 (E_RNA) where: Base-Base interactions energy: -1994.573 where: short stacking energy: -835.182 Base-Backbone interact. energy: -4.706 local terms energy: -798.766414 where: bonds (distance) C4'-P energy: -143.370 bonds (distance) P-C4' energy: -161.215 flat angles C4'-P-C4' energy: -178.171 flat angles P-C4'-P energy: -107.932 tors. eta vs tors. theta energy: -208.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2788.006767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.006767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.006767 (E_RNA) where: Base-Base interactions energy: -2018.398 where: short stacking energy: -804.743 Base-Backbone interact. energy: -0.659 local terms energy: -768.949348 where: bonds (distance) C4'-P energy: -146.903 bonds (distance) P-C4' energy: -125.731 flat angles C4'-P-C4' energy: -171.055 flat angles P-C4'-P energy: -117.232 tors. eta vs tors. theta energy: -208.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2631.490310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.490310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.490310 (E_RNA) where: Base-Base interactions energy: -1851.073 where: short stacking energy: -778.063 Base-Backbone interact. energy: -0.837 local terms energy: -779.580488 where: bonds (distance) C4'-P energy: -120.782 bonds (distance) P-C4' energy: -156.578 flat angles C4'-P-C4' energy: -176.930 flat angles P-C4'-P energy: -106.261 tors. eta vs tors. theta energy: -219.029 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: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2437.311758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.311758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.311758 (E_RNA) where: Base-Base interactions energy: -1705.150 where: short stacking energy: -744.932 Base-Backbone interact. energy: -2.117 local terms energy: -730.045202 where: bonds (distance) C4'-P energy: -131.132 bonds (distance) P-C4' energy: -136.303 flat angles C4'-P-C4' energy: -177.864 flat angles P-C4'-P energy: -101.505 tors. eta vs tors. theta energy: -183.241 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: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2377.113990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.113990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.113990 (E_RNA) where: Base-Base interactions energy: -1716.105 where: short stacking energy: -723.864 Base-Backbone interact. energy: 7.077 local terms energy: -668.086262 where: bonds (distance) C4'-P energy: -108.298 bonds (distance) P-C4' energy: -123.463 flat angles C4'-P-C4' energy: -157.294 flat angles P-C4'-P energy: -98.878 tors. eta vs tors. theta energy: -180.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -2177.352611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.352611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.352611 (E_RNA) where: Base-Base interactions energy: -1513.097 where: short stacking energy: -659.430 Base-Backbone interact. energy: 0.231 local terms energy: -664.486874 where: bonds (distance) C4'-P energy: -123.849 bonds (distance) P-C4' energy: -130.665 flat angles C4'-P-C4' energy: -151.388 flat angles P-C4'-P energy: -103.901 tors. eta vs tors. theta energy: -154.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1691.527610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.527610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.527610 (E_RNA) where: Base-Base interactions energy: -1098.881 where: short stacking energy: -521.618 Base-Backbone interact. energy: -1.709 local terms energy: -590.937485 where: bonds (distance) C4'-P energy: -134.579 bonds (distance) P-C4' energy: -133.784 flat angles C4'-P-C4' energy: -139.994 flat angles P-C4'-P energy: -82.757 tors. eta vs tors. theta energy: -99.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1373.993198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.993198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.993198 (E_RNA) where: Base-Base interactions energy: -907.124 where: short stacking energy: -422.869 Base-Backbone interact. energy: -2.781 local terms energy: -464.088983 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -113.051 flat angles C4'-P-C4' energy: -103.196 flat angles P-C4'-P energy: -64.181 tors. eta vs tors. theta energy: -55.528 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: 1, replica: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3067.358125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.358125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.358125 (E_RNA) where: Base-Base interactions energy: -2161.672 where: short stacking energy: -902.886 Base-Backbone interact. energy: -6.535 local terms energy: -899.150832 where: bonds (distance) C4'-P energy: -158.396 bonds (distance) P-C4' energy: -158.222 flat angles C4'-P-C4' energy: -201.361 flat angles P-C4'-P energy: -134.294 tors. eta vs tors. theta energy: -246.878 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: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3000.498447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.498447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.498447 (E_RNA) where: Base-Base interactions energy: -2145.871 where: short stacking energy: -889.964 Base-Backbone interact. energy: -5.938 local terms energy: -848.689580 where: bonds (distance) C4'-P energy: -155.029 bonds (distance) P-C4' energy: -152.850 flat angles C4'-P-C4' energy: -189.302 flat angles P-C4'-P energy: -114.385 tors. eta vs tors. theta energy: -237.124 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: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2791.422710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.422710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.422710 (E_RNA) where: Base-Base interactions energy: -1973.376 where: short stacking energy: -834.302 Base-Backbone interact. energy: -0.813 local terms energy: -817.233137 where: bonds (distance) C4'-P energy: -143.831 bonds (distance) P-C4' energy: -151.253 flat angles C4'-P-C4' energy: -176.869 flat angles P-C4'-P energy: -121.842 tors. eta vs tors. theta energy: -223.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2822.970974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.970974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.970974 (E_RNA) where: Base-Base interactions energy: -2038.974 where: short stacking energy: -818.358 Base-Backbone interact. energy: 0.922 local terms energy: -784.919580 where: bonds (distance) C4'-P energy: -139.168 bonds (distance) P-C4' energy: -151.558 flat angles C4'-P-C4' energy: -173.477 flat angles P-C4'-P energy: -114.431 tors. eta vs tors. theta energy: -206.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2623.717533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.717533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.717533 (E_RNA) where: Base-Base interactions energy: -1846.650 where: short stacking energy: -821.851 Base-Backbone interact. energy: 6.229 local terms energy: -783.297176 where: bonds (distance) C4'-P energy: -122.789 bonds (distance) P-C4' energy: -156.263 flat angles C4'-P-C4' energy: -160.952 flat angles P-C4'-P energy: -109.821 tors. eta vs tors. theta energy: -233.472 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: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2409.803850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.803850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.803850 (E_RNA) where: Base-Base interactions energy: -1681.733 where: short stacking energy: -735.396 Base-Backbone interact. energy: -3.535 local terms energy: -724.536499 where: bonds (distance) C4'-P energy: -142.206 bonds (distance) P-C4' energy: -128.903 flat angles C4'-P-C4' energy: -151.505 flat angles P-C4'-P energy: -106.097 tors. eta vs tors. theta energy: -195.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2416.557262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.557262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.557262 (E_RNA) where: Base-Base interactions energy: -1716.300 where: short stacking energy: -737.495 Base-Backbone interact. energy: 1.386 local terms energy: -701.643253 where: bonds (distance) C4'-P energy: -132.287 bonds (distance) P-C4' energy: -134.165 flat angles C4'-P-C4' energy: -151.060 flat angles P-C4'-P energy: -88.693 tors. eta vs tors. theta energy: -195.439 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: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -2172.104448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.104448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.104448 (E_RNA) where: Base-Base interactions energy: -1541.260 where: short stacking energy: -648.418 Base-Backbone interact. energy: -1.998 local terms energy: -628.846272 where: bonds (distance) C4'-P energy: -100.586 bonds (distance) P-C4' energy: -142.820 flat angles C4'-P-C4' energy: -146.637 flat angles P-C4'-P energy: -87.069 tors. eta vs tors. theta energy: -151.734 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: 9, replica: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1689.934338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.934338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.934338 (E_RNA) where: Base-Base interactions energy: -1153.868 where: short stacking energy: -519.133 Base-Backbone interact. energy: 0.046 local terms energy: -536.113012 where: bonds (distance) C4'-P energy: -115.675 bonds (distance) P-C4' energy: -124.105 flat angles C4'-P-C4' energy: -140.812 flat angles P-C4'-P energy: -58.619 tors. eta vs tors. theta energy: -96.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1354.886063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.886063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.886063 (E_RNA) where: Base-Base interactions energy: -859.698 where: short stacking energy: -395.786 Base-Backbone interact. energy: -2.471 local terms energy: -492.717557 where: bonds (distance) C4'-P energy: -100.753 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -115.471 flat angles P-C4'-P energy: -68.662 tors. eta vs tors. theta energy: -61.707 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: 1, replica: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3025.936497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.936497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.936497 (E_RNA) where: Base-Base interactions energy: -2139.847 where: short stacking energy: -882.134 Base-Backbone interact. energy: -5.044 local terms energy: -881.044953 where: bonds (distance) C4'-P energy: -169.068 bonds (distance) P-C4' energy: -170.534 flat angles C4'-P-C4' energy: -178.241 flat angles P-C4'-P energy: -119.495 tors. eta vs tors. theta energy: -243.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2941.631655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.631655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.631655 (E_RNA) where: Base-Base interactions energy: -2115.494 where: short stacking energy: -860.924 Base-Backbone interact. energy: -4.387 local terms energy: -821.751195 where: bonds (distance) C4'-P energy: -154.667 bonds (distance) P-C4' energy: -151.415 flat angles C4'-P-C4' energy: -176.037 flat angles P-C4'-P energy: -121.105 tors. eta vs tors. theta energy: -218.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2800.745990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.745990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.745990 (E_RNA) where: Base-Base interactions energy: -2000.791 where: short stacking energy: -857.111 Base-Backbone interact. energy: -4.560 local terms energy: -795.394919 where: bonds (distance) C4'-P energy: -145.531 bonds (distance) P-C4' energy: -138.077 flat angles C4'-P-C4' energy: -170.385 flat angles P-C4'-P energy: -119.832 tors. eta vs tors. theta energy: -221.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2787.025030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.025030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.025030 (E_RNA) where: Base-Base interactions energy: -2003.530 where: short stacking energy: -818.805 Base-Backbone interact. energy: -1.186 local terms energy: -782.308247 where: bonds (distance) C4'-P energy: -139.278 bonds (distance) P-C4' energy: -156.843 flat angles C4'-P-C4' energy: -169.866 flat angles P-C4'-P energy: -109.065 tors. eta vs tors. theta energy: -207.256 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: 418 Temperature: 1.100000 Total energy: -2604.770720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.770720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.770720 (E_RNA) where: Base-Base interactions energy: -1826.417 where: short stacking energy: -756.135 Base-Backbone interact. energy: -6.048 local terms energy: -772.305855 where: bonds (distance) C4'-P energy: -143.058 bonds (distance) P-C4' energy: -135.698 flat angles C4'-P-C4' energy: -164.444 flat angles P-C4'-P energy: -117.121 tors. eta vs tors. theta energy: -211.985 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: 418 Temperature: 1.150000 Total energy: -2415.521121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.521121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.521121 (E_RNA) where: Base-Base interactions energy: -1717.246 where: short stacking energy: -724.810 Base-Backbone interact. energy: 6.006 local terms energy: -704.281616 where: bonds (distance) C4'-P energy: -108.684 bonds (distance) P-C4' energy: -135.106 flat angles C4'-P-C4' energy: -160.927 flat angles P-C4'-P energy: -105.501 tors. eta vs tors. theta energy: -194.064 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: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2317.071256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.071256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.071256 (E_RNA) where: Base-Base interactions energy: -1634.272 where: short stacking energy: -681.938 Base-Backbone interact. energy: -2.395 local terms energy: -680.404430 where: bonds (distance) C4'-P energy: -125.105 bonds (distance) P-C4' energy: -131.849 flat angles C4'-P-C4' energy: -155.247 flat angles P-C4'-P energy: -101.201 tors. eta vs tors. theta energy: -167.002 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: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -2135.718329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.718329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.718329 (E_RNA) where: Base-Base interactions energy: -1492.213 where: short stacking energy: -644.447 Base-Backbone interact. energy: 0.032 local terms energy: -643.537704 where: bonds (distance) C4'-P energy: -112.078 bonds (distance) P-C4' energy: -122.897 flat angles C4'-P-C4' energy: -148.645 flat angles P-C4'-P energy: -107.560 tors. eta vs tors. theta energy: -152.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1658.770004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.770004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.770004 (E_RNA) where: Base-Base interactions energy: -1112.008 where: short stacking energy: -487.158 Base-Backbone interact. energy: -2.043 local terms energy: -544.719237 where: bonds (distance) C4'-P energy: -117.891 bonds (distance) P-C4' energy: -139.538 flat angles C4'-P-C4' energy: -135.187 flat angles P-C4'-P energy: -59.644 tors. eta vs tors. theta energy: -92.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1337.991984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.991984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.991984 (E_RNA) where: Base-Base interactions energy: -802.358 where: short stacking energy: -362.525 Base-Backbone interact. energy: 3.041 local terms energy: -538.674869 where: bonds (distance) C4'-P energy: -139.948 bonds (distance) P-C4' energy: -134.832 flat angles C4'-P-C4' energy: -139.897 flat angles P-C4'-P energy: -85.250 tors. eta vs tors. theta energy: -38.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3046.955903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.955903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.955903 (E_RNA) where: Base-Base interactions energy: -2170.796 where: short stacking energy: -900.788 Base-Backbone interact. energy: -6.333 local terms energy: -869.826847 where: bonds (distance) C4'-P energy: -163.164 bonds (distance) P-C4' energy: -162.855 flat angles C4'-P-C4' energy: -173.120 flat angles P-C4'-P energy: -127.435 tors. eta vs tors. theta energy: -243.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2981.448146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.448146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.448146 (E_RNA) where: Base-Base interactions energy: -2111.486 where: short stacking energy: -889.091 Base-Backbone interact. energy: 0.495 local terms energy: -870.456634 where: bonds (distance) C4'-P energy: -153.592 bonds (distance) P-C4' energy: -168.752 flat angles C4'-P-C4' energy: -184.764 flat angles P-C4'-P energy: -133.486 tors. eta vs tors. theta energy: -229.862 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: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2792.367330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.367330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.367330 (E_RNA) where: Base-Base interactions energy: -1993.328 where: short stacking energy: -829.196 Base-Backbone interact. energy: -0.108 local terms energy: -798.931264 where: bonds (distance) C4'-P energy: -135.288 bonds (distance) P-C4' energy: -151.113 flat angles C4'-P-C4' energy: -176.192 flat angles P-C4'-P energy: -115.456 tors. eta vs tors. theta energy: -220.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2758.761430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.761430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.761430 (E_RNA) where: Base-Base interactions energy: -1990.917 where: short stacking energy: -829.046 Base-Backbone interact. energy: -2.530 local terms energy: -765.313758 where: bonds (distance) C4'-P energy: -143.171 bonds (distance) P-C4' energy: -136.356 flat angles C4'-P-C4' energy: -172.401 flat angles P-C4'-P energy: -102.187 tors. eta vs tors. theta energy: -211.199 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: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2719.872716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.872716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.872716 (E_RNA) where: Base-Base interactions energy: -1955.027 where: short stacking energy: -800.870 Base-Backbone interact. energy: -3.687 local terms energy: -761.158638 where: bonds (distance) C4'-P energy: -143.301 bonds (distance) P-C4' energy: -133.168 flat angles C4'-P-C4' energy: -159.410 flat angles P-C4'-P energy: -108.491 tors. eta vs tors. theta energy: -216.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2411.761055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.761055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.761055 (E_RNA) where: Base-Base interactions energy: -1698.578 where: short stacking energy: -739.983 Base-Backbone interact. energy: -3.799 local terms energy: -709.384039 where: bonds (distance) C4'-P energy: -108.015 bonds (distance) P-C4' energy: -137.802 flat angles C4'-P-C4' energy: -166.167 flat angles P-C4'-P energy: -112.736 tors. eta vs tors. theta energy: -184.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2335.825479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.825479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.825479 (E_RNA) where: Base-Base interactions energy: -1659.512 where: short stacking energy: -676.621 Base-Backbone interact. energy: -0.005 local terms energy: -676.308231 where: bonds (distance) C4'-P energy: -116.806 bonds (distance) P-C4' energy: -143.088 flat angles C4'-P-C4' energy: -149.906 flat angles P-C4'-P energy: -95.216 tors. eta vs tors. theta energy: -171.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -2188.067279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.067279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.067279 (E_RNA) where: Base-Base interactions energy: -1558.329 where: short stacking energy: -640.023 Base-Backbone interact. energy: -4.213 local terms energy: -625.525632 where: bonds (distance) C4'-P energy: -136.432 bonds (distance) P-C4' energy: -120.766 flat angles C4'-P-C4' energy: -139.708 flat angles P-C4'-P energy: -90.243 tors. eta vs tors. theta energy: -138.377 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: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1709.836949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.836949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.836949 (E_RNA) where: Base-Base interactions energy: -1124.564 where: short stacking energy: -518.707 Base-Backbone interact. energy: -0.815 local terms energy: -584.457696 where: bonds (distance) C4'-P energy: -141.898 bonds (distance) P-C4' energy: -118.261 flat angles C4'-P-C4' energy: -132.714 flat angles P-C4'-P energy: -90.483 tors. eta vs tors. theta energy: -101.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1364.566723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.566723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.566723 (E_RNA) where: Base-Base interactions energy: -841.389 where: short stacking energy: -400.504 Base-Backbone interact. energy: 1.769 local terms energy: -524.946325 where: bonds (distance) C4'-P energy: -130.275 bonds (distance) P-C4' energy: -115.237 flat angles C4'-P-C4' energy: -122.849 flat angles P-C4'-P energy: -89.059 tors. eta vs tors. theta energy: -67.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3035.905231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.905231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.905231 (E_RNA) where: Base-Base interactions energy: -2174.215 where: short stacking energy: -900.633 Base-Backbone interact. energy: -4.535 local terms energy: -857.154678 where: bonds (distance) C4'-P energy: -156.736 bonds (distance) P-C4' energy: -159.132 flat angles C4'-P-C4' energy: -182.350 flat angles P-C4'-P energy: -125.451 tors. eta vs tors. theta energy: -233.486 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: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2950.344856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.344856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.344856 (E_RNA) where: Base-Base interactions energy: -2119.048 where: short stacking energy: -883.676 Base-Backbone interact. energy: -2.274 local terms energy: -829.022648 where: bonds (distance) C4'-P energy: -159.432 bonds (distance) P-C4' energy: -138.066 flat angles C4'-P-C4' energy: -169.557 flat angles P-C4'-P energy: -125.933 tors. eta vs tors. theta energy: -236.034 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: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2838.909052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.909052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.909052 (E_RNA) where: Base-Base interactions energy: -2016.076 where: short stacking energy: -851.954 Base-Backbone interact. energy: -3.541 local terms energy: -819.291746 where: bonds (distance) C4'-P energy: -148.097 bonds (distance) P-C4' energy: -148.593 flat angles C4'-P-C4' energy: -172.242 flat angles P-C4'-P energy: -121.517 tors. eta vs tors. theta energy: -228.844 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: 4, replica: 7 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2753.308948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.308948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.308948 (E_RNA) where: Base-Base interactions energy: -1960.831 where: short stacking energy: -831.855 Base-Backbone interact. energy: -3.343 local terms energy: -789.135769 where: bonds (distance) C4'-P energy: -143.993 bonds (distance) P-C4' energy: -133.835 flat angles C4'-P-C4' energy: -172.920 flat angles P-C4'-P energy: -117.901 tors. eta vs tors. theta energy: -220.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2726.023481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.023481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.023481 (E_RNA) where: Base-Base interactions energy: -1957.680 where: short stacking energy: -787.309 Base-Backbone interact. energy: -4.311 local terms energy: -764.032378 where: bonds (distance) C4'-P energy: -130.968 bonds (distance) P-C4' energy: -155.269 flat angles C4'-P-C4' energy: -174.390 flat angles P-C4'-P energy: -102.298 tors. eta vs tors. theta energy: -201.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2395.179867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.179867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.179867 (E_RNA) where: Base-Base interactions energy: -1675.721 where: short stacking energy: -723.070 Base-Backbone interact. energy: -6.346 local terms energy: -713.112418 where: bonds (distance) C4'-P energy: -136.180 bonds (distance) P-C4' energy: -136.642 flat angles C4'-P-C4' energy: -153.524 flat angles P-C4'-P energy: -91.126 tors. eta vs tors. theta energy: -195.640 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: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2334.950075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.950075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.950075 (E_RNA) where: Base-Base interactions energy: -1649.122 where: short stacking energy: -694.392 Base-Backbone interact. energy: -4.003 local terms energy: -681.824461 where: bonds (distance) C4'-P energy: -133.983 bonds (distance) P-C4' energy: -125.470 flat angles C4'-P-C4' energy: -148.633 flat angles P-C4'-P energy: -89.340 tors. eta vs tors. theta energy: -184.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -2179.639831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.639831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.639831 (E_RNA) where: Base-Base interactions energy: -1572.195 where: short stacking energy: -658.227 Base-Backbone interact. energy: -1.700 local terms energy: -605.744471 where: bonds (distance) C4'-P energy: -108.920 bonds (distance) P-C4' energy: -126.924 flat angles C4'-P-C4' energy: -154.283 flat angles P-C4'-P energy: -78.860 tors. eta vs tors. theta energy: -136.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1712.440943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.440943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.440943 (E_RNA) where: Base-Base interactions energy: -1123.945 where: short stacking energy: -519.632 Base-Backbone interact. energy: -0.418 local terms energy: -588.077705 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -134.058 flat angles C4'-P-C4' energy: -139.674 flat angles P-C4'-P energy: -66.552 tors. eta vs tors. theta energy: -110.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1324.643117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.643117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.643117 (E_RNA) where: Base-Base interactions energy: -836.330 where: short stacking energy: -367.957 Base-Backbone interact. energy: -1.814 local terms energy: -486.498719 where: bonds (distance) C4'-P energy: -127.910 bonds (distance) P-C4' energy: -145.558 flat angles C4'-P-C4' energy: -107.227 flat angles P-C4'-P energy: -55.572 tors. eta vs tors. theta energy: -50.232 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: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3051.416808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.416808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.416808 (E_RNA) where: Base-Base interactions energy: -2189.094 where: short stacking energy: -895.126 Base-Backbone interact. energy: -6.673 local terms energy: -855.649650 where: bonds (distance) C4'-P energy: -172.957 bonds (distance) P-C4' energy: -148.692 flat angles C4'-P-C4' energy: -181.042 flat angles P-C4'-P energy: -118.334 tors. eta vs tors. theta energy: -234.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2911.875182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.875182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.875182 (E_RNA) where: Base-Base interactions energy: -2074.619 where: short stacking energy: -847.773 Base-Backbone interact. energy: -4.701 local terms energy: -832.554893 where: bonds (distance) C4'-P energy: -145.644 bonds (distance) P-C4' energy: -166.956 flat angles C4'-P-C4' energy: -176.700 flat angles P-C4'-P energy: -121.577 tors. eta vs tors. theta energy: -221.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2837.444155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.444155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.444155 (E_RNA) where: Base-Base interactions energy: -2024.977 where: short stacking energy: -812.741 Base-Backbone interact. energy: -0.579 local terms energy: -811.888449 where: bonds (distance) C4'-P energy: -140.268 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -174.219 flat angles P-C4'-P energy: -122.400 tors. eta vs tors. theta energy: -231.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2745.356751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.356751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.356751 (E_RNA) where: Base-Base interactions energy: -1933.632 where: short stacking energy: -832.597 Base-Backbone interact. energy: -3.050 local terms energy: -808.674428 where: bonds (distance) C4'-P energy: -132.986 bonds (distance) P-C4' energy: -159.079 flat angles C4'-P-C4' energy: -185.912 flat angles P-C4'-P energy: -101.678 tors. eta vs tors. theta energy: -229.019 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: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2697.609246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.609246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.609246 (E_RNA) where: Base-Base interactions energy: -1911.718 where: short stacking energy: -786.636 Base-Backbone interact. energy: -6.402 local terms energy: -779.489202 where: bonds (distance) C4'-P energy: -146.180 bonds (distance) P-C4' energy: -153.025 flat angles C4'-P-C4' energy: -175.702 flat angles P-C4'-P energy: -103.019 tors. eta vs tors. theta energy: -201.564 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: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2389.890703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.890703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.890703 (E_RNA) where: Base-Base interactions energy: -1657.119 where: short stacking energy: -709.668 Base-Backbone interact. energy: -1.564 local terms energy: -731.207872 where: bonds (distance) C4'-P energy: -135.568 bonds (distance) P-C4' energy: -137.937 flat angles C4'-P-C4' energy: -171.586 flat angles P-C4'-P energy: -103.316 tors. eta vs tors. theta energy: -182.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2348.943430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.943430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.943430 (E_RNA) where: Base-Base interactions energy: -1665.776 where: short stacking energy: -720.043 Base-Backbone interact. energy: 2.030 local terms energy: -685.197268 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -137.854 flat angles C4'-P-C4' energy: -163.929 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -174.937 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: 8, replica: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -2185.371002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.371002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.371002 (E_RNA) where: Base-Base interactions energy: -1543.481 where: short stacking energy: -617.159 Base-Backbone interact. energy: -3.805 local terms energy: -638.084885 where: bonds (distance) C4'-P energy: -128.537 bonds (distance) P-C4' energy: -138.941 flat angles C4'-P-C4' energy: -154.461 flat angles P-C4'-P energy: -93.913 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: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1676.753999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.753999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.753999 (E_RNA) where: Base-Base interactions energy: -1134.160 where: short stacking energy: -528.312 Base-Backbone interact. energy: -1.171 local terms energy: -541.422216 where: bonds (distance) C4'-P energy: -121.575 bonds (distance) P-C4' energy: -128.215 flat angles C4'-P-C4' energy: -123.988 flat angles P-C4'-P energy: -59.490 tors. eta vs tors. theta energy: -108.155 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: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1315.292128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.292128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.292128 (E_RNA) where: Base-Base interactions energy: -841.718 where: short stacking energy: -397.062 Base-Backbone interact. energy: 1.989 local terms energy: -475.563688 where: bonds (distance) C4'-P energy: -110.968 bonds (distance) P-C4' energy: -133.111 flat angles C4'-P-C4' energy: -133.115 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -49.492 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: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3055.296032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.296032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.296032 (E_RNA) where: Base-Base interactions energy: -2163.710 where: short stacking energy: -898.197 Base-Backbone interact. energy: -6.306 local terms energy: -885.279900 where: bonds (distance) C4'-P energy: -159.724 bonds (distance) P-C4' energy: -165.248 flat angles C4'-P-C4' energy: -190.750 flat angles P-C4'-P energy: -127.203 tors. eta vs tors. theta energy: -242.354 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: 2, replica: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2953.561431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.561431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.561431 (E_RNA) where: Base-Base interactions energy: -2117.048 where: short stacking energy: -883.851 Base-Backbone interact. energy: 2.781 local terms energy: -839.294996 where: bonds (distance) C4'-P energy: -152.319 bonds (distance) P-C4' energy: -154.813 flat angles C4'-P-C4' energy: -187.985 flat angles P-C4'-P energy: -123.382 tors. eta vs tors. theta energy: -220.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2810.644463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.644463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.644463 (E_RNA) where: Base-Base interactions energy: -1994.453 where: short stacking energy: -838.605 Base-Backbone interact. energy: -1.203 local terms energy: -814.988748 where: bonds (distance) C4'-P energy: -141.108 bonds (distance) P-C4' energy: -164.949 flat angles C4'-P-C4' energy: -183.993 flat angles P-C4'-P energy: -116.574 tors. eta vs tors. theta energy: -208.365 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: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2728.904760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.904760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.904760 (E_RNA) where: Base-Base interactions energy: -1924.137 where: short stacking energy: -829.372 Base-Backbone interact. energy: 0.335 local terms energy: -805.102808 where: bonds (distance) C4'-P energy: -129.889 bonds (distance) P-C4' energy: -162.535 flat angles C4'-P-C4' energy: -176.647 flat angles P-C4'-P energy: -111.895 tors. eta vs tors. theta energy: -224.136 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: 5, replica: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2685.797774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.797774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.797774 (E_RNA) where: Base-Base interactions energy: -1905.898 where: short stacking energy: -819.554 Base-Backbone interact. energy: 1.550 local terms energy: -781.450387 where: bonds (distance) C4'-P energy: -132.814 bonds (distance) P-C4' energy: -150.802 flat angles C4'-P-C4' energy: -168.716 flat angles P-C4'-P energy: -117.417 tors. eta vs tors. theta energy: -211.702 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: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2381.603449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.603449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.603449 (E_RNA) where: Base-Base interactions energy: -1674.224 where: short stacking energy: -722.374 Base-Backbone interact. energy: -5.022 local terms energy: -702.357150 where: bonds (distance) C4'-P energy: -136.491 bonds (distance) P-C4' energy: -128.221 flat angles C4'-P-C4' energy: -162.106 flat angles P-C4'-P energy: -96.676 tors. eta vs tors. theta energy: -178.863 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: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2435.407387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.407387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.407387 (E_RNA) where: Base-Base interactions energy: -1730.378 where: short stacking energy: -752.215 Base-Backbone interact. energy: -4.588 local terms energy: -700.441580 where: bonds (distance) C4'-P energy: -127.085 bonds (distance) P-C4' energy: -131.191 flat angles C4'-P-C4' energy: -147.163 flat angles P-C4'-P energy: -94.634 tors. eta vs tors. theta energy: -200.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -2203.428998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.428998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.428998 (E_RNA) where: Base-Base interactions energy: -1569.043 where: short stacking energy: -649.316 Base-Backbone interact. energy: -3.027 local terms energy: -631.358655 where: bonds (distance) C4'-P energy: -118.852 bonds (distance) P-C4' energy: -127.985 flat angles C4'-P-C4' energy: -139.919 flat angles P-C4'-P energy: -79.853 tors. eta vs tors. theta energy: -164.750 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: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1675.594226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.594226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.594226 (E_RNA) where: Base-Base interactions energy: -1085.186 where: short stacking energy: -499.661 Base-Backbone interact. energy: -1.070 local terms energy: -589.337534 where: bonds (distance) C4'-P energy: -121.493 bonds (distance) P-C4' energy: -140.271 flat angles C4'-P-C4' energy: -138.511 flat angles P-C4'-P energy: -97.586 tors. eta vs tors. theta energy: -91.477 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: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1367.042242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.042242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.042242 (E_RNA) where: Base-Base interactions energy: -873.642 where: short stacking energy: -415.973 Base-Backbone interact. energy: -4.642 local terms energy: -488.758752 where: bonds (distance) C4'-P energy: -105.686 bonds (distance) P-C4' energy: -111.617 flat angles C4'-P-C4' energy: -117.520 flat angles P-C4'-P energy: -80.442 tors. eta vs tors. theta energy: -73.494 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: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3067.818050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.818050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.818050 (E_RNA) where: Base-Base interactions energy: -2209.893 where: short stacking energy: -921.131 Base-Backbone interact. energy: -3.969 local terms energy: -853.956015 where: bonds (distance) C4'-P energy: -152.085 bonds (distance) P-C4' energy: -168.163 flat angles C4'-P-C4' energy: -180.773 flat angles P-C4'-P energy: -107.605 tors. eta vs tors. theta energy: -245.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2968.645286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.645286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.645286 (E_RNA) where: Base-Base interactions energy: -2107.070 where: short stacking energy: -866.629 Base-Backbone interact. energy: -0.507 local terms energy: -861.067443 where: bonds (distance) C4'-P energy: -161.783 bonds (distance) P-C4' energy: -162.608 flat angles C4'-P-C4' energy: -183.937 flat angles P-C4'-P energy: -125.898 tors. eta vs tors. theta energy: -226.841 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: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2822.248743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.248743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.248743 (E_RNA) where: Base-Base interactions energy: -2016.582 where: short stacking energy: -832.032 Base-Backbone interact. energy: -6.948 local terms energy: -798.719126 where: bonds (distance) C4'-P energy: -136.133 bonds (distance) P-C4' energy: -152.973 flat angles C4'-P-C4' energy: -175.343 flat angles P-C4'-P energy: -115.017 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: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2778.600097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.600097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.600097 (E_RNA) where: Base-Base interactions energy: -2001.643 where: short stacking energy: -842.019 Base-Backbone interact. energy: -0.479 local terms energy: -776.477711 where: bonds (distance) C4'-P energy: -128.491 bonds (distance) P-C4' energy: -140.910 flat angles C4'-P-C4' energy: -170.677 flat angles P-C4'-P energy: -114.145 tors. eta vs tors. theta energy: -222.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2652.534723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.534723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.534723 (E_RNA) where: Base-Base interactions energy: -1867.200 where: short stacking energy: -800.236 Base-Backbone interact. energy: 3.379 local terms energy: -788.713195 where: bonds (distance) C4'-P energy: -150.025 bonds (distance) P-C4' energy: -135.660 flat angles C4'-P-C4' energy: -164.834 flat angles P-C4'-P energy: -114.439 tors. eta vs tors. theta energy: -223.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2418.049388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.049388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.049388 (E_RNA) where: Base-Base interactions energy: -1681.031 where: short stacking energy: -719.306 Base-Backbone interact. energy: -1.446 local terms energy: -735.572136 where: bonds (distance) C4'-P energy: -133.277 bonds (distance) P-C4' energy: -146.543 flat angles C4'-P-C4' energy: -166.259 flat angles P-C4'-P energy: -103.489 tors. eta vs tors. theta energy: -186.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2427.892394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.892394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.892394 (E_RNA) where: Base-Base interactions energy: -1760.716 where: short stacking energy: -734.238 Base-Backbone interact. energy: -2.875 local terms energy: -664.301042 where: bonds (distance) C4'-P energy: -113.987 bonds (distance) P-C4' energy: -126.903 flat angles C4'-P-C4' energy: -147.624 flat angles P-C4'-P energy: -89.886 tors. eta vs tors. theta energy: -185.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -2226.693368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.693368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.693368 (E_RNA) where: Base-Base interactions energy: -1584.102 where: short stacking energy: -653.147 Base-Backbone interact. energy: -2.280 local terms energy: -640.310572 where: bonds (distance) C4'-P energy: -111.001 bonds (distance) P-C4' energy: -113.622 flat angles C4'-P-C4' energy: -161.489 flat angles P-C4'-P energy: -97.319 tors. eta vs tors. theta energy: -156.881 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: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1639.098714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.098714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.098714 (E_RNA) where: Base-Base interactions energy: -1076.545 where: short stacking energy: -491.139 Base-Backbone interact. energy: -3.345 local terms energy: -559.208535 where: bonds (distance) C4'-P energy: -123.614 bonds (distance) P-C4' energy: -131.259 flat angles C4'-P-C4' energy: -123.488 flat angles P-C4'-P energy: -85.317 tors. eta vs tors. theta energy: -95.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1341.071832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.071832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.071832 (E_RNA) where: Base-Base interactions energy: -848.151 where: short stacking energy: -423.099 Base-Backbone interact. energy: 1.390 local terms energy: -494.310136 where: bonds (distance) C4'-P energy: -116.567 bonds (distance) P-C4' energy: -132.403 flat angles C4'-P-C4' energy: -109.672 flat angles P-C4'-P energy: -71.658 tors. eta vs tors. theta energy: -64.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3025.191795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.191795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.191795 (E_RNA) where: Base-Base interactions energy: -2141.732 where: short stacking energy: -892.562 Base-Backbone interact. energy: -9.597 local terms energy: -873.863273 where: bonds (distance) C4'-P energy: -160.575 bonds (distance) P-C4' energy: -159.740 flat angles C4'-P-C4' energy: -182.544 flat angles P-C4'-P energy: -130.897 tors. eta vs tors. theta energy: -240.108 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: 2, replica: 2 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2943.021800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.021800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.021800 (E_RNA) where: Base-Base interactions energy: -2113.320 where: short stacking energy: -856.827 Base-Backbone interact. energy: -1.684 local terms energy: -828.017377 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -160.771 flat angles C4'-P-C4' energy: -185.258 flat angles P-C4'-P energy: -126.070 tors. eta vs tors. theta energy: -219.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2802.557641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.557641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.557641 (E_RNA) where: Base-Base interactions energy: -1985.655 where: short stacking energy: -828.436 Base-Backbone interact. energy: -3.161 local terms energy: -813.741384 where: bonds (distance) C4'-P energy: -157.487 bonds (distance) P-C4' energy: -144.303 flat angles C4'-P-C4' energy: -172.666 flat angles P-C4'-P energy: -112.240 tors. eta vs tors. theta energy: -227.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2759.435127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.435127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.435127 (E_RNA) where: Base-Base interactions energy: -1984.363 where: short stacking energy: -838.006 Base-Backbone interact. energy: -1.889 local terms energy: -773.182617 where: bonds (distance) C4'-P energy: -148.477 bonds (distance) P-C4' energy: -133.149 flat angles C4'-P-C4' energy: -168.337 flat angles P-C4'-P energy: -117.737 tors. eta vs tors. theta energy: -205.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2638.631089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.631089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.631089 (E_RNA) where: Base-Base interactions energy: -1879.591 where: short stacking energy: -806.844 Base-Backbone interact. energy: -1.511 local terms energy: -757.529212 where: bonds (distance) C4'-P energy: -133.394 bonds (distance) P-C4' energy: -129.647 flat angles C4'-P-C4' energy: -180.801 flat angles P-C4'-P energy: -97.681 tors. eta vs tors. theta energy: -216.007 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: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2365.889967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.889967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.889967 (E_RNA) where: Base-Base interactions energy: -1652.719 where: short stacking energy: -726.384 Base-Backbone interact. energy: 1.447 local terms energy: -714.618355 where: bonds (distance) C4'-P energy: -116.565 bonds (distance) P-C4' energy: -148.510 flat angles C4'-P-C4' energy: -152.044 flat angles P-C4'-P energy: -98.959 tors. eta vs tors. theta energy: -198.541 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: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2421.830953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.830953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.830953 (E_RNA) where: Base-Base interactions energy: -1701.659 where: short stacking energy: -696.385 Base-Backbone interact. energy: -5.384 local terms energy: -714.788155 where: bonds (distance) C4'-P energy: -142.405 bonds (distance) P-C4' energy: -118.568 flat angles C4'-P-C4' energy: -148.489 flat angles P-C4'-P energy: -98.190 tors. eta vs tors. theta energy: -207.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -2176.473127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.473127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.473127 (E_RNA) where: Base-Base interactions energy: -1526.268 where: short stacking energy: -628.418 Base-Backbone interact. energy: -5.390 local terms energy: -644.815186 where: bonds (distance) C4'-P energy: -105.200 bonds (distance) P-C4' energy: -158.855 flat angles C4'-P-C4' energy: -146.600 flat angles P-C4'-P energy: -93.847 tors. eta vs tors. theta energy: -140.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1642.378484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.378484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.378484 (E_RNA) where: Base-Base interactions energy: -1068.423 where: short stacking energy: -473.932 Base-Backbone interact. energy: 3.754 local terms energy: -577.709656 where: bonds (distance) C4'-P energy: -119.551 bonds (distance) P-C4' energy: -134.055 flat angles C4'-P-C4' energy: -137.128 flat angles P-C4'-P energy: -80.446 tors. eta vs tors. theta energy: -106.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1369.998773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.998773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.998773 (E_RNA) where: Base-Base interactions energy: -902.254 where: short stacking energy: -415.190 Base-Backbone interact. energy: -0.528 local terms energy: -467.216157 where: bonds (distance) C4'-P energy: -106.162 bonds (distance) P-C4' energy: -122.168 flat angles C4'-P-C4' energy: -115.543 flat angles P-C4'-P energy: -54.695 tors. eta vs tors. theta energy: -68.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3047.592632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.592632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.592632 (E_RNA) where: Base-Base interactions energy: -2173.448 where: short stacking energy: -912.715 Base-Backbone interact. energy: -5.644 local terms energy: -868.500481 where: bonds (distance) C4'-P energy: -161.316 bonds (distance) P-C4' energy: -161.066 flat angles C4'-P-C4' energy: -169.732 flat angles P-C4'-P energy: -126.663 tors. eta vs tors. theta energy: -249.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2947.667642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.667642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.667642 (E_RNA) where: Base-Base interactions energy: -2108.166 where: short stacking energy: -887.193 Base-Backbone interact. energy: -6.239 local terms energy: -833.262576 where: bonds (distance) C4'-P energy: -156.459 bonds (distance) P-C4' energy: -155.697 flat angles C4'-P-C4' energy: -177.734 flat angles P-C4'-P energy: -123.185 tors. eta vs tors. theta energy: -220.188 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: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2812.671842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.671842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.671842 (E_RNA) where: Base-Base interactions energy: -1990.759 where: short stacking energy: -835.634 Base-Backbone interact. energy: 1.673 local terms energy: -823.585400 where: bonds (distance) C4'-P energy: -141.650 bonds (distance) P-C4' energy: -165.271 flat angles C4'-P-C4' energy: -174.863 flat angles P-C4'-P energy: -122.136 tors. eta vs tors. theta energy: -219.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2752.570626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.570626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.570626 (E_RNA) where: Base-Base interactions energy: -1981.314 where: short stacking energy: -806.530 Base-Backbone interact. energy: -5.938 local terms energy: -765.318192 where: bonds (distance) C4'-P energy: -131.239 bonds (distance) P-C4' energy: -138.773 flat angles C4'-P-C4' energy: -174.150 flat angles P-C4'-P energy: -118.302 tors. eta vs tors. theta energy: -202.853 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: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2641.526958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.526958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.526958 (E_RNA) where: Base-Base interactions energy: -1859.802 where: short stacking energy: -809.704 Base-Backbone interact. energy: -1.408 local terms energy: -780.316855 where: bonds (distance) C4'-P energy: -130.976 bonds (distance) P-C4' energy: -140.090 flat angles C4'-P-C4' energy: -160.766 flat angles P-C4'-P energy: -125.548 tors. eta vs tors. theta energy: -222.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2478.169662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.169662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.169662 (E_RNA) where: Base-Base interactions energy: -1724.815 where: short stacking energy: -756.598 Base-Backbone interact. energy: -0.204 local terms energy: -753.151369 where: bonds (distance) C4'-P energy: -144.593 bonds (distance) P-C4' energy: -138.405 flat angles C4'-P-C4' energy: -173.674 flat angles P-C4'-P energy: -90.268 tors. eta vs tors. theta energy: -206.213 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: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2344.604326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.604326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.604326 (E_RNA) where: Base-Base interactions energy: -1621.537 where: short stacking energy: -695.053 Base-Backbone interact. energy: -0.207 local terms energy: -722.860129 where: bonds (distance) C4'-P energy: -130.744 bonds (distance) P-C4' energy: -149.923 flat angles C4'-P-C4' energy: -158.236 flat angles P-C4'-P energy: -100.812 tors. eta vs tors. theta energy: -183.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -2203.734647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.734647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.734647 (E_RNA) where: Base-Base interactions energy: -1535.651 where: short stacking energy: -628.143 Base-Backbone interact. energy: 2.160 local terms energy: -670.243515 where: bonds (distance) C4'-P energy: -137.452 bonds (distance) P-C4' energy: -141.689 flat angles C4'-P-C4' energy: -141.186 flat angles P-C4'-P energy: -101.744 tors. eta vs tors. theta energy: -148.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1745.636996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.636996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.636996 (E_RNA) where: Base-Base interactions energy: -1185.901 where: short stacking energy: -533.920 Base-Backbone interact. energy: -3.441 local terms energy: -556.295310 where: bonds (distance) C4'-P energy: -118.569 bonds (distance) P-C4' energy: -109.397 flat angles C4'-P-C4' energy: -133.641 flat angles P-C4'-P energy: -80.738 tors. eta vs tors. theta energy: -113.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1324.399204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.399204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.399204 (E_RNA) where: Base-Base interactions energy: -815.917 where: short stacking energy: -390.975 Base-Backbone interact. energy: -0.725 local terms energy: -507.757003 where: bonds (distance) C4'-P energy: -130.516 bonds (distance) P-C4' energy: -151.193 flat angles C4'-P-C4' energy: -105.692 flat angles P-C4'-P energy: -75.028 tors. eta vs tors. theta energy: -45.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3034.116679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.116679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.116679 (E_RNA) where: Base-Base interactions energy: -2154.804 where: short stacking energy: -900.759 Base-Backbone interact. energy: -4.640 local terms energy: -874.672197 where: bonds (distance) C4'-P energy: -153.129 bonds (distance) P-C4' energy: -166.716 flat angles C4'-P-C4' energy: -188.819 flat angles P-C4'-P energy: -122.940 tors. eta vs tors. theta energy: -243.070 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: 426 Temperature: 0.950000 Total energy: -2954.815611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.815611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.815611 (E_RNA) where: Base-Base interactions energy: -2118.111 where: short stacking energy: -870.215 Base-Backbone interact. energy: 4.315 local terms energy: -841.019093 where: bonds (distance) C4'-P energy: -153.817 bonds (distance) P-C4' energy: -152.558 flat angles C4'-P-C4' energy: -175.768 flat angles P-C4'-P energy: -123.301 tors. eta vs tors. theta energy: -235.575 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: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2853.576511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.576511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.576511 (E_RNA) where: Base-Base interactions energy: -2048.825 where: short stacking energy: -849.205 Base-Backbone interact. energy: -2.866 local terms energy: -801.885324 where: bonds (distance) C4'-P energy: -150.689 bonds (distance) P-C4' energy: -157.419 flat angles C4'-P-C4' energy: -173.208 flat angles P-C4'-P energy: -105.820 tors. eta vs tors. theta energy: -214.750 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: 10 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2742.087446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.087446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.087446 (E_RNA) where: Base-Base interactions energy: -1953.840 where: short stacking energy: -787.712 Base-Backbone interact. energy: -2.526 local terms energy: -785.721248 where: bonds (distance) C4'-P energy: -144.648 bonds (distance) P-C4' energy: -143.410 flat angles C4'-P-C4' energy: -167.471 flat angles P-C4'-P energy: -125.036 tors. eta vs tors. theta energy: -205.156 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: 5, replica: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2604.292178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.292178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.292178 (E_RNA) where: Base-Base interactions energy: -1851.745 where: short stacking energy: -795.283 Base-Backbone interact. energy: -2.124 local terms energy: -750.422675 where: bonds (distance) C4'-P energy: -141.047 bonds (distance) P-C4' energy: -138.612 flat angles C4'-P-C4' energy: -167.726 flat angles P-C4'-P energy: -95.652 tors. eta vs tors. theta energy: -207.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2493.596255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.596255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.596255 (E_RNA) where: Base-Base interactions energy: -1762.870 where: short stacking energy: -754.974 Base-Backbone interact. energy: -2.123 local terms energy: -728.603388 where: bonds (distance) C4'-P energy: -130.950 bonds (distance) P-C4' energy: -130.652 flat angles C4'-P-C4' energy: -167.453 flat angles P-C4'-P energy: -103.954 tors. eta vs tors. theta energy: -195.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2270.947404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.947404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.947404 (E_RNA) where: Base-Base interactions energy: -1619.982 where: short stacking energy: -685.256 Base-Backbone interact. energy: -3.260 local terms energy: -647.704804 where: bonds (distance) C4'-P energy: -132.510 bonds (distance) P-C4' energy: -131.317 flat angles C4'-P-C4' energy: -143.190 flat angles P-C4'-P energy: -79.924 tors. eta vs tors. theta energy: -160.764 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: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -2234.245645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.245645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.245645 (E_RNA) where: Base-Base interactions energy: -1576.269 where: short stacking energy: -661.477 Base-Backbone interact. energy: -2.221 local terms energy: -655.755743 where: bonds (distance) C4'-P energy: -141.744 bonds (distance) P-C4' energy: -110.148 flat angles C4'-P-C4' energy: -140.644 flat angles P-C4'-P energy: -100.510 tors. eta vs tors. theta energy: -162.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1662.777194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.777194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.777194 (E_RNA) where: Base-Base interactions energy: -1083.137 where: short stacking energy: -513.505 Base-Backbone interact. energy: -0.452 local terms energy: -579.188484 where: bonds (distance) C4'-P energy: -121.709 bonds (distance) P-C4' energy: -142.766 flat angles C4'-P-C4' energy: -129.792 flat angles P-C4'-P energy: -89.447 tors. eta vs tors. theta energy: -95.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1358.285473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.285473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.285473 (E_RNA) where: Base-Base interactions energy: -865.052 where: short stacking energy: -426.103 Base-Backbone interact. energy: -1.209 local terms energy: -492.024622 where: bonds (distance) C4'-P energy: -122.587 bonds (distance) P-C4' energy: -132.273 flat angles C4'-P-C4' energy: -124.207 flat angles P-C4'-P energy: -68.695 tors. eta vs tors. theta energy: -44.262 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: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3055.158487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.158487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.158487 (E_RNA) where: Base-Base interactions energy: -2172.731 where: short stacking energy: -906.325 Base-Backbone interact. energy: -4.767 local terms energy: -877.660725 where: bonds (distance) C4'-P energy: -149.583 bonds (distance) P-C4' energy: -164.190 flat angles C4'-P-C4' energy: -186.290 flat angles P-C4'-P energy: -129.270 tors. eta vs tors. theta energy: -248.328 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: 427 Temperature: 0.950000 Total energy: -2979.307155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.307155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.307155 (E_RNA) where: Base-Base interactions energy: -2136.664 where: short stacking energy: -905.088 Base-Backbone interact. energy: -3.071 local terms energy: -839.572397 where: bonds (distance) C4'-P energy: -136.644 bonds (distance) P-C4' energy: -153.967 flat angles C4'-P-C4' energy: -184.166 flat angles P-C4'-P energy: -131.871 tors. eta vs tors. theta energy: -232.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2849.440794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.440794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.440794 (E_RNA) where: Base-Base interactions energy: -2038.450 where: short stacking energy: -837.246 Base-Backbone interact. energy: -4.105 local terms energy: -806.886354 where: bonds (distance) C4'-P energy: -152.624 bonds (distance) P-C4' energy: -149.945 flat angles C4'-P-C4' energy: -177.170 flat angles P-C4'-P energy: -112.314 tors. eta vs tors. theta energy: -214.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2733.970023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.970023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.970023 (E_RNA) where: Base-Base interactions energy: -1948.168 where: short stacking energy: -805.755 Base-Backbone interact. energy: -0.486 local terms energy: -785.315825 where: bonds (distance) C4'-P energy: -140.338 bonds (distance) P-C4' energy: -154.847 flat angles C4'-P-C4' energy: -180.040 flat angles P-C4'-P energy: -107.533 tors. eta vs tors. theta energy: -202.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2586.183592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.183592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.183592 (E_RNA) where: Base-Base interactions energy: -1819.608 where: short stacking energy: -765.908 Base-Backbone interact. energy: -1.220 local terms energy: -765.355763 where: bonds (distance) C4'-P energy: -124.864 bonds (distance) P-C4' energy: -151.532 flat angles C4'-P-C4' energy: -158.241 flat angles P-C4'-P energy: -116.622 tors. eta vs tors. theta energy: -214.097 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: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2548.993064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.993064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.993064 (E_RNA) where: Base-Base interactions energy: -1813.850 where: short stacking energy: -765.524 Base-Backbone interact. energy: -2.892 local terms energy: -732.251109 where: bonds (distance) C4'-P energy: -137.971 bonds (distance) P-C4' energy: -139.048 flat angles C4'-P-C4' energy: -168.691 flat angles P-C4'-P energy: -98.578 tors. eta vs tors. theta energy: -187.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2281.095505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.095505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.095505 (E_RNA) where: Base-Base interactions energy: -1609.896 where: short stacking energy: -691.309 Base-Backbone interact. energy: -0.492 local terms energy: -670.707940 where: bonds (distance) C4'-P energy: -128.866 bonds (distance) P-C4' energy: -134.822 flat angles C4'-P-C4' energy: -152.844 flat angles P-C4'-P energy: -91.160 tors. eta vs tors. theta energy: -163.016 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: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2296.664303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.664303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.664303 (E_RNA) where: Base-Base interactions energy: -1591.687 where: short stacking energy: -698.867 Base-Backbone interact. energy: -1.992 local terms energy: -702.984923 where: bonds (distance) C4'-P energy: -127.189 bonds (distance) P-C4' energy: -143.346 flat angles C4'-P-C4' energy: -153.700 flat angles P-C4'-P energy: -93.999 tors. eta vs tors. theta energy: -184.751 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: 427 Temperature: 1.300000 Total energy: -1657.977768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.977768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.977768 (E_RNA) where: Base-Base interactions energy: -1126.785 where: short stacking energy: -492.153 Base-Backbone interact. energy: 0.349 local terms energy: -531.541594 where: bonds (distance) C4'-P energy: -130.473 bonds (distance) P-C4' energy: -113.431 flat angles C4'-P-C4' energy: -126.109 flat angles P-C4'-P energy: -62.917 tors. eta vs tors. theta energy: -98.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1479.376317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.376317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.376317 (E_RNA) where: Base-Base interactions energy: -952.203 where: short stacking energy: -436.212 Base-Backbone interact. energy: -0.967 local terms energy: -526.206568 where: bonds (distance) C4'-P energy: -108.520 bonds (distance) P-C4' energy: -118.087 flat angles C4'-P-C4' energy: -135.712 flat angles P-C4'-P energy: -92.065 tors. eta vs tors. theta energy: -71.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3040.137584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.137584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.137584 (E_RNA) where: Base-Base interactions energy: -2155.891 where: short stacking energy: -909.899 Base-Backbone interact. energy: -6.133 local terms energy: -878.113908 where: bonds (distance) C4'-P energy: -148.383 bonds (distance) P-C4' energy: -174.288 flat angles C4'-P-C4' energy: -190.823 flat angles P-C4'-P energy: -126.948 tors. eta vs tors. theta energy: -237.673 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: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2962.950402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.950402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.950402 (E_RNA) where: Base-Base interactions energy: -2130.579 where: short stacking energy: -866.771 Base-Backbone interact. energy: -1.291 local terms energy: -831.080622 where: bonds (distance) C4'-P energy: -140.225 bonds (distance) P-C4' energy: -172.159 flat angles C4'-P-C4' energy: -179.624 flat angles P-C4'-P energy: -111.604 tors. eta vs tors. theta energy: -227.468 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: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2815.128683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.128683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.128683 (E_RNA) where: Base-Base interactions energy: -2010.290 where: short stacking energy: -833.073 Base-Backbone interact. energy: -9.110 local terms energy: -795.729147 where: bonds (distance) C4'-P energy: -140.310 bonds (distance) P-C4' energy: -153.597 flat angles C4'-P-C4' energy: -174.184 flat angles P-C4'-P energy: -113.232 tors. eta vs tors. theta energy: -214.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2711.810383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.810383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.810383 (E_RNA) where: Base-Base interactions energy: -1956.891 where: short stacking energy: -811.059 Base-Backbone interact. energy: -0.979 local terms energy: -753.940935 where: bonds (distance) C4'-P energy: -147.653 bonds (distance) P-C4' energy: -160.324 flat angles C4'-P-C4' energy: -157.004 flat angles P-C4'-P energy: -94.976 tors. eta vs tors. theta energy: -193.985 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: 428 Temperature: 1.100000 Total energy: -2640.350522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.350522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.350522 (E_RNA) where: Base-Base interactions energy: -1852.258 where: short stacking energy: -825.062 Base-Backbone interact. energy: 0.486 local terms energy: -788.578827 where: bonds (distance) C4'-P energy: -155.406 bonds (distance) P-C4' energy: -141.186 flat angles C4'-P-C4' energy: -167.415 flat angles P-C4'-P energy: -105.312 tors. eta vs tors. theta energy: -219.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2527.486257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.486257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.486257 (E_RNA) where: Base-Base interactions energy: -1802.388 where: short stacking energy: -762.667 Base-Backbone interact. energy: -2.170 local terms energy: -722.928400 where: bonds (distance) C4'-P energy: -122.710 bonds (distance) P-C4' energy: -147.864 flat angles C4'-P-C4' energy: -155.808 flat angles P-C4'-P energy: -100.214 tors. eta vs tors. theta energy: -196.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2309.436791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.436791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.436791 (E_RNA) where: Base-Base interactions energy: -1665.231 where: short stacking energy: -707.071 Base-Backbone interact. energy: -3.662 local terms energy: -640.543598 where: bonds (distance) C4'-P energy: -128.700 bonds (distance) P-C4' energy: -107.712 flat angles C4'-P-C4' energy: -146.048 flat angles P-C4'-P energy: -82.979 tors. eta vs tors. theta energy: -175.104 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: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -2227.901404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.901404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.901404 (E_RNA) where: Base-Base interactions energy: -1555.869 where: short stacking energy: -664.699 Base-Backbone interact. energy: -1.397 local terms energy: -670.634894 where: bonds (distance) C4'-P energy: -123.394 bonds (distance) P-C4' energy: -137.813 flat angles C4'-P-C4' energy: -150.832 flat angles P-C4'-P energy: -87.387 tors. eta vs tors. theta energy: -171.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1682.204931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.204931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.204931 (E_RNA) where: Base-Base interactions energy: -1111.699 where: short stacking energy: -487.975 Base-Backbone interact. energy: -0.655 local terms energy: -569.850521 where: bonds (distance) C4'-P energy: -103.461 bonds (distance) P-C4' energy: -137.143 flat angles C4'-P-C4' energy: -141.634 flat angles P-C4'-P energy: -90.958 tors. eta vs tors. theta energy: -96.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1393.646169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.646169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.646169 (E_RNA) where: Base-Base interactions energy: -910.405 where: short stacking energy: -388.736 Base-Backbone interact. energy: 4.656 local terms energy: -487.897141 where: bonds (distance) C4'-P energy: -132.946 bonds (distance) P-C4' energy: -131.313 flat angles C4'-P-C4' energy: -101.272 flat angles P-C4'-P energy: -81.207 tors. eta vs tors. theta energy: -41.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3037.986946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.986946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.986946 (E_RNA) where: Base-Base interactions energy: -2157.326 where: short stacking energy: -895.339 Base-Backbone interact. energy: -5.551 local terms energy: -875.109775 where: bonds (distance) C4'-P energy: -153.230 bonds (distance) P-C4' energy: -165.824 flat angles C4'-P-C4' energy: -183.399 flat angles P-C4'-P energy: -132.312 tors. eta vs tors. theta energy: -240.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2947.563890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.563890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.563890 (E_RNA) where: Base-Base interactions energy: -2109.325 where: short stacking energy: -876.910 Base-Backbone interact. energy: -6.260 local terms energy: -831.978031 where: bonds (distance) C4'-P energy: -144.902 bonds (distance) P-C4' energy: -156.212 flat angles C4'-P-C4' energy: -189.700 flat angles P-C4'-P energy: -111.782 tors. eta vs tors. theta energy: -229.383 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: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2795.028318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.028318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.028318 (E_RNA) where: Base-Base interactions energy: -1980.664 where: short stacking energy: -830.893 Base-Backbone interact. energy: -3.007 local terms energy: -811.357409 where: bonds (distance) C4'-P energy: -159.708 bonds (distance) P-C4' energy: -149.577 flat angles C4'-P-C4' energy: -171.563 flat angles P-C4'-P energy: -124.032 tors. eta vs tors. theta energy: -206.477 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: 4, replica: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2742.068128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.068128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.068128 (E_RNA) where: Base-Base interactions energy: -1933.793 where: short stacking energy: -809.482 Base-Backbone interact. energy: -2.429 local terms energy: -805.845801 where: bonds (distance) C4'-P energy: -149.970 bonds (distance) P-C4' energy: -150.344 flat angles C4'-P-C4' energy: -178.651 flat angles P-C4'-P energy: -113.588 tors. eta vs tors. theta energy: -213.292 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: 429 Temperature: 1.100000 Total energy: -2682.603751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.603751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.603751 (E_RNA) where: Base-Base interactions energy: -1882.885 where: short stacking energy: -806.104 Base-Backbone interact. energy: -1.743 local terms energy: -797.975849 where: bonds (distance) C4'-P energy: -139.778 bonds (distance) P-C4' energy: -149.985 flat angles C4'-P-C4' energy: -165.645 flat angles P-C4'-P energy: -113.763 tors. eta vs tors. theta energy: -228.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2518.802480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.802480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.802480 (E_RNA) where: Base-Base interactions energy: -1769.529 where: short stacking energy: -736.694 Base-Backbone interact. energy: -3.415 local terms energy: -745.858409 where: bonds (distance) C4'-P energy: -124.243 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -169.029 flat angles P-C4'-P energy: -122.923 tors. eta vs tors. theta energy: -183.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2334.756370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.756370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.756370 (E_RNA) where: Base-Base interactions energy: -1660.975 where: short stacking energy: -691.932 Base-Backbone interact. energy: 2.512 local terms energy: -676.293217 where: bonds (distance) C4'-P energy: -134.753 bonds (distance) P-C4' energy: -123.477 flat angles C4'-P-C4' energy: -153.296 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -170.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -2216.078988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.078988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.078988 (E_RNA) where: Base-Base interactions energy: -1556.554 where: short stacking energy: -678.303 Base-Backbone interact. energy: -2.545 local terms energy: -656.980364 where: bonds (distance) C4'-P energy: -132.588 bonds (distance) P-C4' energy: -127.062 flat angles C4'-P-C4' energy: -139.741 flat angles P-C4'-P energy: -91.934 tors. eta vs tors. theta energy: -165.655 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: 8 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1686.981450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.981450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.981450 (E_RNA) where: Base-Base interactions energy: -1125.799 where: short stacking energy: -490.038 Base-Backbone interact. energy: 4.794 local terms energy: -565.975809 where: bonds (distance) C4'-P energy: -115.945 bonds (distance) P-C4' energy: -140.348 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -74.281 tors. eta vs tors. theta energy: -96.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1285.008115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.008115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.008115 (E_RNA) where: Base-Base interactions energy: -814.022 where: short stacking energy: -397.747 Base-Backbone interact. energy: 8.401 local terms energy: -479.386298 where: bonds (distance) C4'-P energy: -129.665 bonds (distance) P-C4' energy: -123.218 flat angles C4'-P-C4' energy: -112.959 flat angles P-C4'-P energy: -61.039 tors. eta vs tors. theta energy: -52.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3074.215235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.215235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.215235 (E_RNA) where: Base-Base interactions energy: -2196.258 where: short stacking energy: -904.524 Base-Backbone interact. energy: -2.544 local terms energy: -875.412505 where: bonds (distance) C4'-P energy: -168.828 bonds (distance) P-C4' energy: -153.966 flat angles C4'-P-C4' energy: -173.078 flat angles P-C4'-P energy: -139.801 tors. eta vs tors. theta energy: -239.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2971.649695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.649695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.649695 (E_RNA) where: Base-Base interactions energy: -2093.188 where: short stacking energy: -861.270 Base-Backbone interact. energy: -3.684 local terms energy: -874.777190 where: bonds (distance) C4'-P energy: -175.823 bonds (distance) P-C4' energy: -171.202 flat angles C4'-P-C4' energy: -175.616 flat angles P-C4'-P energy: -127.112 tors. eta vs tors. theta energy: -225.025 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: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2827.036544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.036544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.036544 (E_RNA) where: Base-Base interactions energy: -2015.086 where: short stacking energy: -838.426 Base-Backbone interact. energy: -4.216 local terms energy: -807.734598 where: bonds (distance) C4'-P energy: -147.424 bonds (distance) P-C4' energy: -163.445 flat angles C4'-P-C4' energy: -177.091 flat angles P-C4'-P energy: -113.234 tors. eta vs tors. theta energy: -206.541 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: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2749.966886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.966886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.966886 (E_RNA) where: Base-Base interactions energy: -1939.128 where: short stacking energy: -786.111 Base-Backbone interact. energy: -4.186 local terms energy: -806.653075 where: bonds (distance) C4'-P energy: -142.473 bonds (distance) P-C4' energy: -151.874 flat angles C4'-P-C4' energy: -170.530 flat angles P-C4'-P energy: -120.675 tors. eta vs tors. theta energy: -221.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2669.904741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.904741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.904741 (E_RNA) where: Base-Base interactions energy: -1861.178 where: short stacking energy: -804.898 Base-Backbone interact. energy: -3.147 local terms energy: -805.580086 where: bonds (distance) C4'-P energy: -153.331 bonds (distance) P-C4' energy: -145.020 flat angles C4'-P-C4' energy: -171.044 flat angles P-C4'-P energy: -117.752 tors. eta vs tors. theta energy: -218.434 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: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2528.312233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.312233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.312233 (E_RNA) where: Base-Base interactions energy: -1763.835 where: short stacking energy: -764.193 Base-Backbone interact. energy: -1.303 local terms energy: -763.173834 where: bonds (distance) C4'-P energy: -135.451 bonds (distance) P-C4' energy: -142.517 flat angles C4'-P-C4' energy: -170.896 flat angles P-C4'-P energy: -111.712 tors. eta vs tors. theta energy: -202.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2316.220425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.220425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.220425 (E_RNA) where: Base-Base interactions energy: -1623.333 where: short stacking energy: -672.780 Base-Backbone interact. energy: -3.177 local terms energy: -689.710522 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -135.983 flat angles C4'-P-C4' energy: -145.361 flat angles P-C4'-P energy: -94.851 tors. eta vs tors. theta energy: -189.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -2160.255226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.255226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.255226 (E_RNA) where: Base-Base interactions energy: -1541.640 where: short stacking energy: -642.536 Base-Backbone interact. energy: 0.712 local terms energy: -619.326581 where: bonds (distance) C4'-P energy: -124.372 bonds (distance) P-C4' energy: -129.384 flat angles C4'-P-C4' energy: -146.587 flat angles P-C4'-P energy: -72.954 tors. eta vs tors. theta energy: -146.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1710.314081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.314081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.314081 (E_RNA) where: Base-Base interactions energy: -1108.024 where: short stacking energy: -541.115 Base-Backbone interact. energy: -2.658 local terms energy: -599.632096 where: bonds (distance) C4'-P energy: -112.068 bonds (distance) P-C4' energy: -135.158 flat angles C4'-P-C4' energy: -148.361 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: -114.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1349.948585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.948585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.948585 (E_RNA) where: Base-Base interactions energy: -844.092 where: short stacking energy: -420.301 Base-Backbone interact. energy: -0.620 local terms energy: -505.236229 where: bonds (distance) C4'-P energy: -119.557 bonds (distance) P-C4' energy: -127.267 flat angles C4'-P-C4' energy: -115.832 flat angles P-C4'-P energy: -87.010 tors. eta vs tors. theta energy: -55.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3047.653910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.653910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.653910 (E_RNA) where: Base-Base interactions energy: -2152.135 where: short stacking energy: -894.824 Base-Backbone interact. energy: -7.305 local terms energy: -888.213417 where: bonds (distance) C4'-P energy: -157.761 bonds (distance) P-C4' energy: -165.422 flat angles C4'-P-C4' energy: -186.330 flat angles P-C4'-P energy: -126.656 tors. eta vs tors. theta energy: -252.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2954.872016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.872016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.872016 (E_RNA) where: Base-Base interactions energy: -2135.601 where: short stacking energy: -888.143 Base-Backbone interact. energy: -6.064 local terms energy: -813.207495 where: bonds (distance) C4'-P energy: -143.192 bonds (distance) P-C4' energy: -149.650 flat angles C4'-P-C4' energy: -185.203 flat angles P-C4'-P energy: -110.479 tors. eta vs tors. theta energy: -224.683 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: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2852.166110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.166110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.166110 (E_RNA) where: Base-Base interactions energy: -2045.176 where: short stacking energy: -836.571 Base-Backbone interact. energy: -5.255 local terms energy: -801.734700 where: bonds (distance) C4'-P energy: -136.524 bonds (distance) P-C4' energy: -163.116 flat angles C4'-P-C4' energy: -173.366 flat angles P-C4'-P energy: -116.100 tors. eta vs tors. theta energy: -212.629 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: 4, replica: 10 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2718.616996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.616996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.616996 (E_RNA) where: Base-Base interactions energy: -1933.865 where: short stacking energy: -796.743 Base-Backbone interact. energy: -5.858 local terms energy: -778.893538 where: bonds (distance) C4'-P energy: -134.638 bonds (distance) P-C4' energy: -139.250 flat angles C4'-P-C4' energy: -182.650 flat angles P-C4'-P energy: -105.386 tors. eta vs tors. theta energy: -216.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2618.319706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.319706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.319706 (E_RNA) where: Base-Base interactions energy: -1811.539 where: short stacking energy: -789.372 Base-Backbone interact. energy: -2.106 local terms energy: -804.675058 where: bonds (distance) C4'-P energy: -148.171 bonds (distance) P-C4' energy: -141.214 flat angles C4'-P-C4' energy: -167.168 flat angles P-C4'-P energy: -118.767 tors. eta vs tors. theta energy: -229.355 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: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2506.850646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.850646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.850646 (E_RNA) where: Base-Base interactions energy: -1763.024 where: short stacking energy: -773.209 Base-Backbone interact. energy: -4.645 local terms energy: -739.181815 where: bonds (distance) C4'-P energy: -143.516 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -144.817 flat angles P-C4'-P energy: -92.983 tors. eta vs tors. theta energy: -209.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2351.007009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.007009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.007009 (E_RNA) where: Base-Base interactions energy: -1635.975 where: short stacking energy: -682.769 Base-Backbone interact. energy: -4.671 local terms energy: -710.360471 where: bonds (distance) C4'-P energy: -145.201 bonds (distance) P-C4' energy: -136.695 flat angles C4'-P-C4' energy: -159.237 flat angles P-C4'-P energy: -97.417 tors. eta vs tors. theta energy: -171.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2252.191784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.191784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.191784 (E_RNA) where: Base-Base interactions energy: -1565.673 where: short stacking energy: -676.614 Base-Backbone interact. energy: -2.108 local terms energy: -684.410800 where: bonds (distance) C4'-P energy: -124.016 bonds (distance) P-C4' energy: -147.455 flat angles C4'-P-C4' energy: -146.905 flat angles P-C4'-P energy: -94.177 tors. eta vs tors. theta energy: -171.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1779.756261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.756261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.756261 (E_RNA) where: Base-Base interactions energy: -1163.897 where: short stacking energy: -542.536 Base-Backbone interact. energy: 0.985 local terms energy: -616.844822 where: bonds (distance) C4'-P energy: -132.632 bonds (distance) P-C4' energy: -141.583 flat angles C4'-P-C4' energy: -137.910 flat angles P-C4'-P energy: -78.548 tors. eta vs tors. theta energy: -126.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1236.100635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.100635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.100635 (E_RNA) where: Base-Base interactions energy: -777.143 where: short stacking energy: -389.689 Base-Backbone interact. energy: 0.041 local terms energy: -458.998571 where: bonds (distance) C4'-P energy: -121.317 bonds (distance) P-C4' energy: -128.929 flat angles C4'-P-C4' energy: -120.055 flat angles P-C4'-P energy: -58.614 tors. eta vs tors. theta energy: -30.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3022.793222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.793222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.793222 (E_RNA) where: Base-Base interactions energy: -2135.267 where: short stacking energy: -891.241 Base-Backbone interact. energy: -5.388 local terms energy: -882.137699 where: bonds (distance) C4'-P energy: -160.589 bonds (distance) P-C4' energy: -155.424 flat angles C4'-P-C4' energy: -193.375 flat angles P-C4'-P energy: -127.805 tors. eta vs tors. theta energy: -244.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2954.773346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.773346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.773346 (E_RNA) where: Base-Base interactions energy: -2096.172 where: short stacking energy: -882.803 Base-Backbone interact. energy: -0.219 local terms energy: -858.381774 where: bonds (distance) C4'-P energy: -166.389 bonds (distance) P-C4' energy: -163.897 flat angles C4'-P-C4' energy: -190.776 flat angles P-C4'-P energy: -120.347 tors. eta vs tors. theta energy: -216.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2871.490568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.490568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.490568 (E_RNA) where: Base-Base interactions energy: -2071.172 where: short stacking energy: -828.047 Base-Backbone interact. energy: -6.080 local terms energy: -794.238613 where: bonds (distance) C4'-P energy: -148.100 bonds (distance) P-C4' energy: -153.064 flat angles C4'-P-C4' energy: -165.268 flat angles P-C4'-P energy: -116.532 tors. eta vs tors. theta energy: -211.274 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: 4, replica: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2680.237044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.237044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.237044 (E_RNA) where: Base-Base interactions energy: -1892.090 where: short stacking energy: -782.655 Base-Backbone interact. energy: -1.126 local terms energy: -787.020774 where: bonds (distance) C4'-P energy: -138.697 bonds (distance) P-C4' energy: -149.338 flat angles C4'-P-C4' energy: -172.594 flat angles P-C4'-P energy: -114.349 tors. eta vs tors. theta energy: -212.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2690.931238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.931238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.931238 (E_RNA) where: Base-Base interactions energy: -1867.257 where: short stacking energy: -828.785 Base-Backbone interact. energy: -1.537 local terms energy: -822.137416 where: bonds (distance) C4'-P energy: -138.992 bonds (distance) P-C4' energy: -146.048 flat angles C4'-P-C4' energy: -165.113 flat angles P-C4'-P energy: -125.049 tors. eta vs tors. theta energy: -246.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2587.954903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.954903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.954903 (E_RNA) where: Base-Base interactions energy: -1824.923 where: short stacking energy: -764.721 Base-Backbone interact. energy: -3.470 local terms energy: -759.561895 where: bonds (distance) C4'-P energy: -141.414 bonds (distance) P-C4' energy: -145.060 flat angles C4'-P-C4' energy: -168.220 flat angles P-C4'-P energy: -88.167 tors. eta vs tors. theta energy: -216.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2358.927320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.927320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.927320 (E_RNA) where: Base-Base interactions energy: -1681.727 where: short stacking energy: -732.811 Base-Backbone interact. energy: 5.325 local terms energy: -682.525590 where: bonds (distance) C4'-P energy: -129.090 bonds (distance) P-C4' energy: -133.258 flat angles C4'-P-C4' energy: -152.777 flat angles P-C4'-P energy: -95.635 tors. eta vs tors. theta energy: -171.766 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: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2299.131440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.131440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.131440 (E_RNA) where: Base-Base interactions energy: -1631.413 where: short stacking energy: -723.814 Base-Backbone interact. energy: -4.540 local terms energy: -663.179011 where: bonds (distance) C4'-P energy: -122.706 bonds (distance) P-C4' energy: -118.330 flat angles C4'-P-C4' energy: -141.313 flat angles P-C4'-P energy: -96.371 tors. eta vs tors. theta energy: -184.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1751.737619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.737619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.737619 (E_RNA) where: Base-Base interactions energy: -1159.485 where: short stacking energy: -540.163 Base-Backbone interact. energy: -1.213 local terms energy: -591.039743 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -131.557 flat angles C4'-P-C4' energy: -131.200 flat angles P-C4'-P energy: -78.572 tors. eta vs tors. theta energy: -122.320 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: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1287.836425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.836425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.836425 (E_RNA) where: Base-Base interactions energy: -805.273 where: short stacking energy: -394.699 Base-Backbone interact. energy: 0.773 local terms energy: -483.335965 where: bonds (distance) C4'-P energy: -101.924 bonds (distance) P-C4' energy: -137.054 flat angles C4'-P-C4' energy: -108.107 flat angles P-C4'-P energy: -76.309 tors. eta vs tors. theta energy: -59.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3032.410192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.410192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.410192 (E_RNA) where: Base-Base interactions energy: -2167.623 where: short stacking energy: -883.940 Base-Backbone interact. energy: -6.807 local terms energy: -857.980205 where: bonds (distance) C4'-P energy: -157.613 bonds (distance) P-C4' energy: -153.548 flat angles C4'-P-C4' energy: -181.739 flat angles P-C4'-P energy: -125.289 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: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2950.302414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.302414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.302414 (E_RNA) where: Base-Base interactions energy: -2090.642 where: short stacking energy: -868.939 Base-Backbone interact. energy: -4.164 local terms energy: -855.496399 where: bonds (distance) C4'-P energy: -161.395 bonds (distance) P-C4' energy: -172.765 flat angles C4'-P-C4' energy: -172.151 flat angles P-C4'-P energy: -116.207 tors. eta vs tors. theta energy: -232.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2829.880885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.880885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.880885 (E_RNA) where: Base-Base interactions energy: -2028.682 where: short stacking energy: -834.870 Base-Backbone interact. energy: 5.422 local terms energy: -806.620666 where: bonds (distance) C4'-P energy: -166.259 bonds (distance) P-C4' energy: -135.833 flat angles C4'-P-C4' energy: -178.904 flat angles P-C4'-P energy: -111.905 tors. eta vs tors. theta energy: -213.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2673.676747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.676747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.676747 (E_RNA) where: Base-Base interactions energy: -1923.458 where: short stacking energy: -788.134 Base-Backbone interact. energy: 3.054 local terms energy: -753.272175 where: bonds (distance) C4'-P energy: -131.566 bonds (distance) P-C4' energy: -139.368 flat angles C4'-P-C4' energy: -159.557 flat angles P-C4'-P energy: -108.913 tors. eta vs tors. theta energy: -213.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2681.349593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.349593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.349593 (E_RNA) where: Base-Base interactions energy: -1901.898 where: short stacking energy: -832.260 Base-Backbone interact. energy: -0.401 local terms energy: -779.051202 where: bonds (distance) C4'-P energy: -141.102 bonds (distance) P-C4' energy: -131.937 flat angles C4'-P-C4' energy: -177.724 flat angles P-C4'-P energy: -114.077 tors. eta vs tors. theta energy: -214.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2591.771897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.771897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.771897 (E_RNA) where: Base-Base interactions energy: -1811.121 where: short stacking energy: -752.963 Base-Backbone interact. energy: -3.393 local terms energy: -777.258458 where: bonds (distance) C4'-P energy: -152.130 bonds (distance) P-C4' energy: -151.103 flat angles C4'-P-C4' energy: -154.000 flat angles P-C4'-P energy: -107.060 tors. eta vs tors. theta energy: -212.964 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: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2373.737811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.737811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.737811 (E_RNA) where: Base-Base interactions energy: -1683.969 where: short stacking energy: -703.485 Base-Backbone interact. energy: -2.624 local terms energy: -687.145492 where: bonds (distance) C4'-P energy: -125.018 bonds (distance) P-C4' energy: -140.743 flat angles C4'-P-C4' energy: -148.480 flat angles P-C4'-P energy: -104.995 tors. eta vs tors. theta energy: -167.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2243.780254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.780254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.780254 (E_RNA) where: Base-Base interactions energy: -1568.137 where: short stacking energy: -674.803 Base-Backbone interact. energy: -4.088 local terms energy: -671.555518 where: bonds (distance) C4'-P energy: -142.394 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -158.976 flat angles P-C4'-P energy: -79.239 tors. eta vs tors. theta energy: -156.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1738.348552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.348552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.348552 (E_RNA) where: Base-Base interactions energy: -1132.541 where: short stacking energy: -544.147 Base-Backbone interact. energy: -1.883 local terms energy: -603.924845 where: bonds (distance) C4'-P energy: -113.862 bonds (distance) P-C4' energy: -140.980 flat angles C4'-P-C4' energy: -145.872 flat angles P-C4'-P energy: -93.988 tors. eta vs tors. theta energy: -109.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1298.645825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.645825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.645825 (E_RNA) where: Base-Base interactions energy: -861.556 where: short stacking energy: -385.219 Base-Backbone interact. energy: 1.253 local terms energy: -438.342138 where: bonds (distance) C4'-P energy: -106.658 bonds (distance) P-C4' energy: -123.337 flat angles C4'-P-C4' energy: -102.447 flat angles P-C4'-P energy: -64.770 tors. eta vs tors. theta energy: -41.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3016.701302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.701302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.701302 (E_RNA) where: Base-Base interactions energy: -2141.599 where: short stacking energy: -892.796 Base-Backbone interact. energy: -4.819 local terms energy: -870.282748 where: bonds (distance) C4'-P energy: -156.599 bonds (distance) P-C4' energy: -167.289 flat angles C4'-P-C4' energy: -183.016 flat angles P-C4'-P energy: -121.130 tors. eta vs tors. theta energy: -242.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2951.592728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.592728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.592728 (E_RNA) where: Base-Base interactions energy: -2150.821 where: short stacking energy: -876.438 Base-Backbone interact. energy: -1.315 local terms energy: -799.456079 where: bonds (distance) C4'-P energy: -149.500 bonds (distance) P-C4' energy: -149.959 flat angles C4'-P-C4' energy: -182.184 flat angles P-C4'-P energy: -107.804 tors. eta vs tors. theta energy: -210.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2750.629973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.629973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.629973 (E_RNA) where: Base-Base interactions energy: -1947.923 where: short stacking energy: -814.701 Base-Backbone interact. energy: -1.286 local terms energy: -801.421384 where: bonds (distance) C4'-P energy: -139.133 bonds (distance) P-C4' energy: -137.607 flat angles C4'-P-C4' energy: -177.280 flat angles P-C4'-P energy: -133.907 tors. eta vs tors. theta energy: -213.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2743.195865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.195865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.195865 (E_RNA) where: Base-Base interactions energy: -1981.043 where: short stacking energy: -809.694 Base-Backbone interact. energy: 1.572 local terms energy: -763.725243 where: bonds (distance) C4'-P energy: -161.045 bonds (distance) P-C4' energy: -136.534 flat angles C4'-P-C4' energy: -156.669 flat angles P-C4'-P energy: -112.847 tors. eta vs tors. theta energy: -196.629 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: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2661.033570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.033570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.033570 (E_RNA) where: Base-Base interactions energy: -1854.494 where: short stacking energy: -815.975 Base-Backbone interact. energy: -0.898 local terms energy: -805.641778 where: bonds (distance) C4'-P energy: -143.919 bonds (distance) P-C4' energy: -144.521 flat angles C4'-P-C4' energy: -170.764 flat angles P-C4'-P energy: -112.300 tors. eta vs tors. theta energy: -234.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2565.480561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.480561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.480561 (E_RNA) where: Base-Base interactions energy: -1794.252 where: short stacking energy: -782.054 Base-Backbone interact. energy: -1.588 local terms energy: -769.640803 where: bonds (distance) C4'-P energy: -130.835 bonds (distance) P-C4' energy: -160.731 flat angles C4'-P-C4' energy: -172.217 flat angles P-C4'-P energy: -94.805 tors. eta vs tors. theta energy: -211.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2366.917657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.917657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.917657 (E_RNA) where: Base-Base interactions energy: -1680.150 where: short stacking energy: -700.636 Base-Backbone interact. energy: 2.563 local terms energy: -689.329886 where: bonds (distance) C4'-P energy: -131.428 bonds (distance) P-C4' energy: -128.892 flat angles C4'-P-C4' energy: -154.498 flat angles P-C4'-P energy: -97.850 tors. eta vs tors. theta energy: -176.662 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: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2253.068479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.068479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.068479 (E_RNA) where: Base-Base interactions energy: -1597.338 where: short stacking energy: -702.545 Base-Backbone interact. energy: -2.346 local terms energy: -653.384648 where: bonds (distance) C4'-P energy: -114.310 bonds (distance) P-C4' energy: -118.253 flat angles C4'-P-C4' energy: -168.957 flat angles P-C4'-P energy: -78.662 tors. eta vs tors. theta energy: -173.203 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: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1711.560664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.560664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.560664 (E_RNA) where: Base-Base interactions energy: -1152.144 where: short stacking energy: -511.170 Base-Backbone interact. energy: 3.166 local terms energy: -562.582110 where: bonds (distance) C4'-P energy: -105.012 bonds (distance) P-C4' energy: -130.630 flat angles C4'-P-C4' energy: -133.027 flat angles P-C4'-P energy: -94.467 tors. eta vs tors. theta energy: -99.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1281.652525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.652525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.652525 (E_RNA) where: Base-Base interactions energy: -805.981 where: short stacking energy: -361.698 Base-Backbone interact. energy: 5.481 local terms energy: -481.152385 where: bonds (distance) C4'-P energy: -123.277 bonds (distance) P-C4' energy: -135.137 flat angles C4'-P-C4' energy: -110.612 flat angles P-C4'-P energy: -71.117 tors. eta vs tors. theta energy: -41.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3031.866526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.866526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.866526 (E_RNA) where: Base-Base interactions energy: -2164.572 where: short stacking energy: -882.245 Base-Backbone interact. energy: 0.899 local terms energy: -868.193362 where: bonds (distance) C4'-P energy: -145.433 bonds (distance) P-C4' energy: -168.555 flat angles C4'-P-C4' energy: -196.537 flat angles P-C4'-P energy: -124.489 tors. eta vs tors. theta energy: -233.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2941.109242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.109242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.109242 (E_RNA) where: Base-Base interactions energy: -2091.860 where: short stacking energy: -885.899 Base-Backbone interact. energy: 3.569 local terms energy: -852.817953 where: bonds (distance) C4'-P energy: -160.154 bonds (distance) P-C4' energy: -150.258 flat angles C4'-P-C4' energy: -175.839 flat angles P-C4'-P energy: -129.156 tors. eta vs tors. theta energy: -237.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2797.240048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.240048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.240048 (E_RNA) where: Base-Base interactions energy: -1985.024 where: short stacking energy: -811.905 Base-Backbone interact. energy: -4.609 local terms energy: -807.607155 where: bonds (distance) C4'-P energy: -132.249 bonds (distance) P-C4' energy: -151.230 flat angles C4'-P-C4' energy: -186.375 flat angles P-C4'-P energy: -123.931 tors. eta vs tors. theta energy: -213.821 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: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2732.574105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.574105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.574105 (E_RNA) where: Base-Base interactions energy: -1939.630 where: short stacking energy: -849.708 Base-Backbone interact. energy: -4.069 local terms energy: -788.874370 where: bonds (distance) C4'-P energy: -121.786 bonds (distance) P-C4' energy: -146.061 flat angles C4'-P-C4' energy: -175.361 flat angles P-C4'-P energy: -109.950 tors. eta vs tors. theta energy: -235.716 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: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2702.204085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.204085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.204085 (E_RNA) where: Base-Base interactions energy: -1959.486 where: short stacking energy: -802.272 Base-Backbone interact. energy: 1.736 local terms energy: -744.454509 where: bonds (distance) C4'-P energy: -131.577 bonds (distance) P-C4' energy: -134.830 flat angles C4'-P-C4' energy: -167.447 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -206.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2569.237137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.237137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.237137 (E_RNA) where: Base-Base interactions energy: -1829.593 where: short stacking energy: -729.325 Base-Backbone interact. energy: -2.583 local terms energy: -737.060939 where: bonds (distance) C4'-P energy: -123.008 bonds (distance) P-C4' energy: -137.349 flat angles C4'-P-C4' energy: -160.943 flat angles P-C4'-P energy: -117.609 tors. eta vs tors. theta energy: -198.152 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: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2328.288335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.288335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.288335 (E_RNA) where: Base-Base interactions energy: -1633.374 where: short stacking energy: -694.907 Base-Backbone interact. energy: -4.738 local terms energy: -690.176177 where: bonds (distance) C4'-P energy: -129.997 bonds (distance) P-C4' energy: -134.737 flat angles C4'-P-C4' energy: -147.749 flat angles P-C4'-P energy: -105.025 tors. eta vs tors. theta energy: -172.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2221.129887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.129887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.129887 (E_RNA) where: Base-Base interactions energy: -1555.936 where: short stacking energy: -694.023 Base-Backbone interact. energy: -5.198 local terms energy: -659.995233 where: bonds (distance) C4'-P energy: -133.187 bonds (distance) P-C4' energy: -112.149 flat angles C4'-P-C4' energy: -154.119 flat angles P-C4'-P energy: -87.700 tors. eta vs tors. theta energy: -172.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1693.994548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.994548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.994548 (E_RNA) where: Base-Base interactions energy: -1139.223 where: short stacking energy: -520.481 Base-Backbone interact. energy: -4.172 local terms energy: -550.598820 where: bonds (distance) C4'-P energy: -100.769 bonds (distance) P-C4' energy: -121.710 flat angles C4'-P-C4' energy: -119.461 flat angles P-C4'-P energy: -89.311 tors. eta vs tors. theta energy: -119.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1243.514527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.514527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.514527 (E_RNA) where: Base-Base interactions energy: -774.031 where: short stacking energy: -360.477 Base-Backbone interact. energy: -3.463 local terms energy: -466.020694 where: bonds (distance) C4'-P energy: -121.448 bonds (distance) P-C4' energy: -114.647 flat angles C4'-P-C4' energy: -125.695 flat angles P-C4'-P energy: -75.825 tors. eta vs tors. theta energy: -28.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3030.104458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.104458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.104458 (E_RNA) where: Base-Base interactions energy: -2157.931 where: short stacking energy: -885.541 Base-Backbone interact. energy: -7.074 local terms energy: -865.099200 where: bonds (distance) C4'-P energy: -163.034 bonds (distance) P-C4' energy: -152.147 flat angles C4'-P-C4' energy: -187.047 flat angles P-C4'-P energy: -128.726 tors. eta vs tors. theta energy: -234.146 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: 436 Temperature: 0.950000 Total energy: -2957.137649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.137649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.137649 (E_RNA) where: Base-Base interactions energy: -2128.904 where: short stacking energy: -879.228 Base-Backbone interact. energy: -1.223 local terms energy: -827.010298 where: bonds (distance) C4'-P energy: -138.266 bonds (distance) P-C4' energy: -151.947 flat angles C4'-P-C4' energy: -183.314 flat angles P-C4'-P energy: -124.174 tors. eta vs tors. theta energy: -229.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2818.841391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.841391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.841391 (E_RNA) where: Base-Base interactions energy: -1990.025 where: short stacking energy: -828.036 Base-Backbone interact. energy: -0.350 local terms energy: -828.466502 where: bonds (distance) C4'-P energy: -144.297 bonds (distance) P-C4' energy: -136.813 flat angles C4'-P-C4' energy: -189.228 flat angles P-C4'-P energy: -132.894 tors. eta vs tors. theta energy: -225.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2719.589277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.589277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.589277 (E_RNA) where: Base-Base interactions energy: -1887.221 where: short stacking energy: -830.473 Base-Backbone interact. energy: -4.302 local terms energy: -828.066810 where: bonds (distance) C4'-P energy: -153.127 bonds (distance) P-C4' energy: -156.733 flat angles C4'-P-C4' energy: -177.953 flat angles P-C4'-P energy: -108.387 tors. eta vs tors. theta energy: -231.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2662.129943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.129943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.129943 (E_RNA) where: Base-Base interactions energy: -1921.580 where: short stacking energy: -775.707 Base-Backbone interact. energy: -0.781 local terms energy: -739.768280 where: bonds (distance) C4'-P energy: -120.355 bonds (distance) P-C4' energy: -151.109 flat angles C4'-P-C4' energy: -176.803 flat angles P-C4'-P energy: -101.127 tors. eta vs tors. theta energy: -190.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2595.171230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.171230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.171230 (E_RNA) where: Base-Base interactions energy: -1865.751 where: short stacking energy: -792.770 Base-Backbone interact. energy: 0.700 local terms energy: -730.119967 where: bonds (distance) C4'-P energy: -117.775 bonds (distance) P-C4' energy: -123.662 flat angles C4'-P-C4' energy: -172.510 flat angles P-C4'-P energy: -98.511 tors. eta vs tors. theta energy: -217.661 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: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2372.585453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.585453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.585453 (E_RNA) where: Base-Base interactions energy: -1677.417 where: short stacking energy: -716.426 Base-Backbone interact. energy: -1.584 local terms energy: -693.584459 where: bonds (distance) C4'-P energy: -140.469 bonds (distance) P-C4' energy: -135.867 flat angles C4'-P-C4' energy: -137.204 flat angles P-C4'-P energy: -112.110 tors. eta vs tors. theta energy: -167.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -2253.169699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.169699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.169699 (E_RNA) where: Base-Base interactions energy: -1550.964 where: short stacking energy: -682.117 Base-Backbone interact. energy: 0.768 local terms energy: -702.973604 where: bonds (distance) C4'-P energy: -113.601 bonds (distance) P-C4' energy: -156.246 flat angles C4'-P-C4' energy: -160.320 flat angles P-C4'-P energy: -103.049 tors. eta vs tors. theta energy: -169.758 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: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1794.319379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.319379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.319379 (E_RNA) where: Base-Base interactions energy: -1187.462 where: short stacking energy: -523.799 Base-Backbone interact. energy: 8.927 local terms energy: -615.784401 where: bonds (distance) C4'-P energy: -131.958 bonds (distance) P-C4' energy: -142.529 flat angles C4'-P-C4' energy: -135.383 flat angles P-C4'-P energy: -102.700 tors. eta vs tors. theta energy: -103.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1283.756498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.756498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.756498 (E_RNA) where: Base-Base interactions energy: -812.875 where: short stacking energy: -395.851 Base-Backbone interact. energy: -2.244 local terms energy: -468.637816 where: bonds (distance) C4'-P energy: -118.830 bonds (distance) P-C4' energy: -122.074 flat angles C4'-P-C4' energy: -122.556 flat angles P-C4'-P energy: -68.197 tors. eta vs tors. theta energy: -36.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3035.461772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.461772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.461772 (E_RNA) where: Base-Base interactions energy: -2185.101 where: short stacking energy: -870.021 Base-Backbone interact. energy: -4.371 local terms energy: -845.989938 where: bonds (distance) C4'-P energy: -148.729 bonds (distance) P-C4' energy: -166.351 flat angles C4'-P-C4' energy: -183.976 flat angles P-C4'-P energy: -112.533 tors. eta vs tors. theta energy: -234.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2956.809069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.809069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.809069 (E_RNA) where: Base-Base interactions energy: -2116.203 where: short stacking energy: -873.583 Base-Backbone interact. energy: -4.598 local terms energy: -836.007566 where: bonds (distance) C4'-P energy: -137.672 bonds (distance) P-C4' energy: -166.553 flat angles C4'-P-C4' energy: -185.064 flat angles P-C4'-P energy: -125.486 tors. eta vs tors. theta energy: -221.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2824.500436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.500436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.500436 (E_RNA) where: Base-Base interactions energy: -2003.802 where: short stacking energy: -837.337 Base-Backbone interact. energy: 4.093 local terms energy: -824.790816 where: bonds (distance) C4'-P energy: -139.180 bonds (distance) P-C4' energy: -165.919 flat angles C4'-P-C4' energy: -179.556 flat angles P-C4'-P energy: -106.700 tors. eta vs tors. theta energy: -233.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2714.997089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.997089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.997089 (E_RNA) where: Base-Base interactions energy: -1919.718 where: short stacking energy: -849.125 Base-Backbone interact. energy: -0.271 local terms energy: -795.008496 where: bonds (distance) C4'-P energy: -138.388 bonds (distance) P-C4' energy: -163.864 flat angles C4'-P-C4' energy: -165.321 flat angles P-C4'-P energy: -100.199 tors. eta vs tors. theta energy: -227.237 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: 437 Temperature: 1.100000 Total energy: -2648.930289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.930289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.930289 (E_RNA) where: Base-Base interactions energy: -1907.503 where: short stacking energy: -773.277 Base-Backbone interact. energy: -6.463 local terms energy: -734.964895 where: bonds (distance) C4'-P energy: -141.674 bonds (distance) P-C4' energy: -155.825 flat angles C4'-P-C4' energy: -157.123 flat angles P-C4'-P energy: -82.685 tors. eta vs tors. theta energy: -197.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2588.700232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.700232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.700232 (E_RNA) where: Base-Base interactions energy: -1846.629 where: short stacking energy: -788.887 Base-Backbone interact. energy: -2.709 local terms energy: -739.362411 where: bonds (distance) C4'-P energy: -128.120 bonds (distance) P-C4' energy: -129.123 flat angles C4'-P-C4' energy: -162.704 flat angles P-C4'-P energy: -103.677 tors. eta vs tors. theta energy: -215.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2314.802970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.802970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.802970 (E_RNA) where: Base-Base interactions energy: -1642.067 where: short stacking energy: -674.371 Base-Backbone interact. energy: 1.832 local terms energy: -674.568450 where: bonds (distance) C4'-P energy: -115.850 bonds (distance) P-C4' energy: -123.104 flat angles C4'-P-C4' energy: -158.631 flat angles P-C4'-P energy: -103.263 tors. eta vs tors. theta energy: -173.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -2189.132044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.132044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.132044 (E_RNA) where: Base-Base interactions energy: -1547.978 where: short stacking energy: -660.627 Base-Backbone interact. energy: 0.061 local terms energy: -641.215464 where: bonds (distance) C4'-P energy: -115.571 bonds (distance) P-C4' energy: -125.346 flat angles C4'-P-C4' energy: -155.058 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -165.513 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: 9, replica: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1763.837079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.837079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.837079 (E_RNA) where: Base-Base interactions energy: -1163.907 where: short stacking energy: -520.744 Base-Backbone interact. energy: 2.924 local terms energy: -602.853884 where: bonds (distance) C4'-P energy: -118.851 bonds (distance) P-C4' energy: -134.639 flat angles C4'-P-C4' energy: -145.903 flat angles P-C4'-P energy: -95.692 tors. eta vs tors. theta energy: -107.770 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: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1313.741262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.741262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.741262 (E_RNA) where: Base-Base interactions energy: -824.394 where: short stacking energy: -413.721 Base-Backbone interact. energy: 0.851 local terms energy: -490.198445 where: bonds (distance) C4'-P energy: -121.892 bonds (distance) P-C4' energy: -112.508 flat angles C4'-P-C4' energy: -132.657 flat angles P-C4'-P energy: -68.482 tors. eta vs tors. theta energy: -54.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3046.592265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.592265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.592265 (E_RNA) where: Base-Base interactions energy: -2184.408 where: short stacking energy: -899.693 Base-Backbone interact. energy: -1.899 local terms energy: -860.285863 where: bonds (distance) C4'-P energy: -155.446 bonds (distance) P-C4' energy: -154.099 flat angles C4'-P-C4' energy: -186.907 flat angles P-C4'-P energy: -120.876 tors. eta vs tors. theta energy: -242.958 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: 438 Temperature: 0.950000 Total energy: -2987.768580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.768580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.768580 (E_RNA) where: Base-Base interactions energy: -2167.163 where: short stacking energy: -902.814 Base-Backbone interact. energy: -7.768 local terms energy: -812.837456 where: bonds (distance) C4'-P energy: -129.792 bonds (distance) P-C4' energy: -160.773 flat angles C4'-P-C4' energy: -177.787 flat angles P-C4'-P energy: -109.009 tors. eta vs tors. theta energy: -235.476 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: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2834.493379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.493379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.493379 (E_RNA) where: Base-Base interactions energy: -1998.429 where: short stacking energy: -854.323 Base-Backbone interact. energy: -2.457 local terms energy: -833.607494 where: bonds (distance) C4'-P energy: -146.423 bonds (distance) P-C4' energy: -156.356 flat angles C4'-P-C4' energy: -183.617 flat angles P-C4'-P energy: -122.847 tors. eta vs tors. theta energy: -224.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2728.652733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.652733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.652733 (E_RNA) where: Base-Base interactions energy: -1917.791 where: short stacking energy: -838.640 Base-Backbone interact. energy: 1.225 local terms energy: -812.086713 where: bonds (distance) C4'-P energy: -139.112 bonds (distance) P-C4' energy: -144.224 flat angles C4'-P-C4' energy: -170.210 flat angles P-C4'-P energy: -118.714 tors. eta vs tors. theta energy: -239.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2639.814864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.814864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.814864 (E_RNA) where: Base-Base interactions energy: -1870.518 where: short stacking energy: -814.666 Base-Backbone interact. energy: -1.640 local terms energy: -767.656439 where: bonds (distance) C4'-P energy: -121.309 bonds (distance) P-C4' energy: -147.561 flat angles C4'-P-C4' energy: -168.831 flat angles P-C4'-P energy: -103.609 tors. eta vs tors. theta energy: -226.346 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: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2593.875668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.875668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.875668 (E_RNA) where: Base-Base interactions energy: -1852.571 where: short stacking energy: -751.702 Base-Backbone interact. energy: -2.132 local terms energy: -739.172698 where: bonds (distance) C4'-P energy: -142.739 bonds (distance) P-C4' energy: -138.629 flat angles C4'-P-C4' energy: -160.391 flat angles P-C4'-P energy: -102.652 tors. eta vs tors. theta energy: -194.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2392.285943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.285943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.285943 (E_RNA) where: Base-Base interactions energy: -1688.598 where: short stacking energy: -729.451 Base-Backbone interact. energy: -3.000 local terms energy: -700.687825 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -144.777 flat angles C4'-P-C4' energy: -155.971 flat angles P-C4'-P energy: -86.641 tors. eta vs tors. theta energy: -180.081 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: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -2188.811653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.811653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.811653 (E_RNA) where: Base-Base interactions energy: -1523.031 where: short stacking energy: -667.424 Base-Backbone interact. energy: -2.707 local terms energy: -663.073785 where: bonds (distance) C4'-P energy: -129.962 bonds (distance) P-C4' energy: -122.157 flat angles C4'-P-C4' energy: -145.771 flat angles P-C4'-P energy: -87.435 tors. eta vs tors. theta energy: -177.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1728.198909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.198909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.198909 (E_RNA) where: Base-Base interactions energy: -1153.526 where: short stacking energy: -528.481 Base-Backbone interact. energy: 0.735 local terms energy: -575.407288 where: bonds (distance) C4'-P energy: -115.882 bonds (distance) P-C4' energy: -135.976 flat angles C4'-P-C4' energy: -140.416 flat angles P-C4'-P energy: -70.572 tors. eta vs tors. theta energy: -112.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1308.919104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.919104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.919104 (E_RNA) where: Base-Base interactions energy: -825.049 where: short stacking energy: -392.707 Base-Backbone interact. energy: 0.199 local terms energy: -484.069157 where: bonds (distance) C4'-P energy: -118.736 bonds (distance) P-C4' energy: -145.512 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -80.481 tors. eta vs tors. theta energy: -38.335 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: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3045.428195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.428195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.428195 (E_RNA) where: Base-Base interactions energy: -2193.729 where: short stacking energy: -899.414 Base-Backbone interact. energy: -3.864 local terms energy: -847.835235 where: bonds (distance) C4'-P energy: -167.799 bonds (distance) P-C4' energy: -151.694 flat angles C4'-P-C4' energy: -176.988 flat angles P-C4'-P energy: -119.169 tors. eta vs tors. theta energy: -232.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2967.061410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.061410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.061410 (E_RNA) where: Base-Base interactions energy: -2109.269 where: short stacking energy: -841.739 Base-Backbone interact. energy: -8.875 local terms energy: -848.918147 where: bonds (distance) C4'-P energy: -160.648 bonds (distance) P-C4' energy: -154.255 flat angles C4'-P-C4' energy: -184.525 flat angles P-C4'-P energy: -126.167 tors. eta vs tors. theta energy: -223.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2813.100124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.100124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.100124 (E_RNA) where: Base-Base interactions energy: -1990.161 where: short stacking energy: -834.071 Base-Backbone interact. energy: 0.248 local terms energy: -823.187392 where: bonds (distance) C4'-P energy: -137.863 bonds (distance) P-C4' energy: -157.866 flat angles C4'-P-C4' energy: -183.219 flat angles P-C4'-P energy: -118.104 tors. eta vs tors. theta energy: -226.136 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: 439 Temperature: 1.050000 Total energy: -2742.193798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.193798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.193798 (E_RNA) where: Base-Base interactions energy: -1937.424 where: short stacking energy: -821.664 Base-Backbone interact. energy: -0.179 local terms energy: -804.590762 where: bonds (distance) C4'-P energy: -127.638 bonds (distance) P-C4' energy: -154.143 flat angles C4'-P-C4' energy: -181.751 flat angles P-C4'-P energy: -112.616 tors. eta vs tors. theta energy: -228.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2661.593980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.593980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.593980 (E_RNA) where: Base-Base interactions energy: -1875.505 where: short stacking energy: -818.816 Base-Backbone interact. energy: -3.416 local terms energy: -782.673476 where: bonds (distance) C4'-P energy: -138.579 bonds (distance) P-C4' energy: -135.188 flat angles C4'-P-C4' energy: -159.869 flat angles P-C4'-P energy: -118.873 tors. eta vs tors. theta energy: -230.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2573.129780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.129780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.129780 (E_RNA) where: Base-Base interactions energy: -1857.280 where: short stacking energy: -763.907 Base-Backbone interact. energy: 2.320 local terms energy: -718.169872 where: bonds (distance) C4'-P energy: -104.605 bonds (distance) P-C4' energy: -141.100 flat angles C4'-P-C4' energy: -171.359 flat angles P-C4'-P energy: -102.347 tors. eta vs tors. theta energy: -198.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2391.193360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.193360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.193360 (E_RNA) where: Base-Base interactions energy: -1696.633 where: short stacking energy: -727.417 Base-Backbone interact. energy: -2.688 local terms energy: -691.871954 where: bonds (distance) C4'-P energy: -132.332 bonds (distance) P-C4' energy: -117.758 flat angles C4'-P-C4' energy: -158.058 flat angles P-C4'-P energy: -88.056 tors. eta vs tors. theta energy: -195.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -2244.399694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.399694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.399694 (E_RNA) where: Base-Base interactions energy: -1538.102 where: short stacking energy: -663.512 Base-Backbone interact. energy: 0.558 local terms energy: -706.855683 where: bonds (distance) C4'-P energy: -142.761 bonds (distance) P-C4' energy: -145.308 flat angles C4'-P-C4' energy: -138.706 flat angles P-C4'-P energy: -109.940 tors. eta vs tors. theta energy: -170.141 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: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1698.374649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.374649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.374649 (E_RNA) where: Base-Base interactions energy: -1118.788 where: short stacking energy: -505.096 Base-Backbone interact. energy: -1.578 local terms energy: -578.007669 where: bonds (distance) C4'-P energy: -119.834 bonds (distance) P-C4' energy: -113.749 flat angles C4'-P-C4' energy: -141.852 flat angles P-C4'-P energy: -96.268 tors. eta vs tors. theta energy: -106.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1299.703365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.703365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.703365 (E_RNA) where: Base-Base interactions energy: -838.885 where: short stacking energy: -382.678 Base-Backbone interact. energy: -2.213 local terms energy: -458.606363 where: bonds (distance) C4'-P energy: -99.198 bonds (distance) P-C4' energy: -133.728 flat angles C4'-P-C4' energy: -120.164 flat angles P-C4'-P energy: -52.315 tors. eta vs tors. theta energy: -53.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3041.153308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.153308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.153308 (E_RNA) where: Base-Base interactions energy: -2153.962 where: short stacking energy: -919.446 Base-Backbone interact. energy: -5.098 local terms energy: -882.093144 where: bonds (distance) C4'-P energy: -152.349 bonds (distance) P-C4' energy: -161.068 flat angles C4'-P-C4' energy: -198.592 flat angles P-C4'-P energy: -126.753 tors. eta vs tors. theta energy: -243.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2998.360456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.360456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.360456 (E_RNA) where: Base-Base interactions energy: -2148.753 where: short stacking energy: -894.692 Base-Backbone interact. energy: -4.657 local terms energy: -844.951200 where: bonds (distance) C4'-P energy: -148.070 bonds (distance) P-C4' energy: -151.360 flat angles C4'-P-C4' energy: -193.588 flat angles P-C4'-P energy: -110.764 tors. eta vs tors. theta energy: -241.170 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: 3, replica: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2844.267009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.267009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.267009 (E_RNA) where: Base-Base interactions energy: -2019.582 where: short stacking energy: -843.467 Base-Backbone interact. energy: -2.600 local terms energy: -822.085696 where: bonds (distance) C4'-P energy: -155.184 bonds (distance) P-C4' energy: -149.496 flat angles C4'-P-C4' energy: -181.253 flat angles P-C4'-P energy: -117.130 tors. eta vs tors. theta energy: -219.022 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: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2757.648109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.648109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.648109 (E_RNA) where: Base-Base interactions energy: -1968.217 where: short stacking energy: -814.311 Base-Backbone interact. energy: -1.196 local terms energy: -788.235782 where: bonds (distance) C4'-P energy: -148.341 bonds (distance) P-C4' energy: -139.467 flat angles C4'-P-C4' energy: -173.290 flat angles P-C4'-P energy: -116.170 tors. eta vs tors. theta energy: -210.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2604.239405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.239405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.239405 (E_RNA) where: Base-Base interactions energy: -1788.568 where: short stacking energy: -778.671 Base-Backbone interact. energy: -1.378 local terms energy: -814.293769 where: bonds (distance) C4'-P energy: -146.815 bonds (distance) P-C4' energy: -156.184 flat angles C4'-P-C4' energy: -173.295 flat angles P-C4'-P energy: -111.531 tors. eta vs tors. theta energy: -226.469 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: 6, replica: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2559.852584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.852584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.852584 (E_RNA) where: Base-Base interactions energy: -1834.097 where: short stacking energy: -736.406 Base-Backbone interact. energy: -4.066 local terms energy: -721.690209 where: bonds (distance) C4'-P energy: -143.085 bonds (distance) P-C4' energy: -126.780 flat angles C4'-P-C4' energy: -151.284 flat angles P-C4'-P energy: -108.405 tors. eta vs tors. theta energy: -192.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2416.419711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.419711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.419711 (E_RNA) where: Base-Base interactions energy: -1695.629 where: short stacking energy: -735.077 Base-Backbone interact. energy: -3.660 local terms energy: -717.131080 where: bonds (distance) C4'-P energy: -136.144 bonds (distance) P-C4' energy: -131.322 flat angles C4'-P-C4' energy: -156.797 flat angles P-C4'-P energy: -100.126 tors. eta vs tors. theta energy: -192.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2318.472256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.472256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.472256 (E_RNA) where: Base-Base interactions energy: -1648.549 where: short stacking energy: -694.288 Base-Backbone interact. energy: -1.714 local terms energy: -668.209940 where: bonds (distance) C4'-P energy: -120.239 bonds (distance) P-C4' energy: -137.247 flat angles C4'-P-C4' energy: -151.812 flat angles P-C4'-P energy: -86.900 tors. eta vs tors. theta energy: -172.013 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: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1711.147480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.147480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.147480 (E_RNA) where: Base-Base interactions energy: -1129.430 where: short stacking energy: -526.443 Base-Backbone interact. energy: -1.198 local terms energy: -580.519623 where: bonds (distance) C4'-P energy: -112.591 bonds (distance) P-C4' energy: -129.832 flat angles C4'-P-C4' energy: -134.771 flat angles P-C4'-P energy: -102.426 tors. eta vs tors. theta energy: -100.900 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: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1434.209389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.209389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.209389 (E_RNA) where: Base-Base interactions energy: -882.370 where: short stacking energy: -411.340 Base-Backbone interact. energy: 1.491 local terms energy: -553.331209 where: bonds (distance) C4'-P energy: -125.769 bonds (distance) P-C4' energy: -143.005 flat angles C4'-P-C4' energy: -125.263 flat angles P-C4'-P energy: -78.887 tors. eta vs tors. theta energy: -80.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3027.053837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.053837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.053837 (E_RNA) where: Base-Base interactions energy: -2152.862 where: short stacking energy: -906.486 Base-Backbone interact. energy: 3.058 local terms energy: -877.250724 where: bonds (distance) C4'-P energy: -172.615 bonds (distance) P-C4' energy: -166.391 flat angles C4'-P-C4' energy: -176.864 flat angles P-C4'-P energy: -109.751 tors. eta vs tors. theta energy: -251.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2975.720439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.720439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.720439 (E_RNA) where: Base-Base interactions energy: -2131.165 where: short stacking energy: -890.767 Base-Backbone interact. energy: -6.080 local terms energy: -838.475529 where: bonds (distance) C4'-P energy: -145.346 bonds (distance) P-C4' energy: -150.194 flat angles C4'-P-C4' energy: -186.427 flat angles P-C4'-P energy: -121.152 tors. eta vs tors. theta energy: -235.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2854.123458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.123458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.123458 (E_RNA) where: Base-Base interactions energy: -2050.015 where: short stacking energy: -846.769 Base-Backbone interact. energy: 6.167 local terms energy: -810.275330 where: bonds (distance) C4'-P energy: -138.050 bonds (distance) P-C4' energy: -145.956 flat angles C4'-P-C4' energy: -178.865 flat angles P-C4'-P energy: -117.393 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: 4, replica: 9 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2750.060369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.060369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.060369 (E_RNA) where: Base-Base interactions energy: -1953.427 where: short stacking energy: -830.525 Base-Backbone interact. energy: -1.776 local terms energy: -794.856957 where: bonds (distance) C4'-P energy: -137.842 bonds (distance) P-C4' energy: -159.442 flat angles C4'-P-C4' energy: -164.561 flat angles P-C4'-P energy: -122.070 tors. eta vs tors. theta energy: -210.943 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: 7 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2624.663431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.663431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.663431 (E_RNA) where: Base-Base interactions energy: -1871.343 where: short stacking energy: -794.632 Base-Backbone interact. energy: -2.114 local terms energy: -751.206069 where: bonds (distance) C4'-P energy: -124.570 bonds (distance) P-C4' energy: -138.063 flat angles C4'-P-C4' energy: -162.216 flat angles P-C4'-P energy: -103.935 tors. eta vs tors. theta energy: -222.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2553.888078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.888078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.888078 (E_RNA) where: Base-Base interactions energy: -1858.090 where: short stacking energy: -764.030 Base-Backbone interact. energy: 3.559 local terms energy: -699.357129 where: bonds (distance) C4'-P energy: -118.826 bonds (distance) P-C4' energy: -154.249 flat angles C4'-P-C4' energy: -153.382 flat angles P-C4'-P energy: -96.050 tors. eta vs tors. theta energy: -176.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2426.480232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.480232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.480232 (E_RNA) where: Base-Base interactions energy: -1727.826 where: short stacking energy: -696.870 Base-Backbone interact. energy: -2.336 local terms energy: -696.317543 where: bonds (distance) C4'-P energy: -125.000 bonds (distance) P-C4' energy: -150.881 flat angles C4'-P-C4' energy: -163.417 flat angles P-C4'-P energy: -87.272 tors. eta vs tors. theta energy: -169.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -2260.181172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.181172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.181172 (E_RNA) where: Base-Base interactions energy: -1602.984 where: short stacking energy: -705.224 Base-Backbone interact. energy: -0.134 local terms energy: -657.062764 where: bonds (distance) C4'-P energy: -116.664 bonds (distance) P-C4' energy: -126.343 flat angles C4'-P-C4' energy: -150.279 flat angles P-C4'-P energy: -100.200 tors. eta vs tors. theta energy: -163.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1700.244966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.244966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.244966 (E_RNA) where: Base-Base interactions energy: -1173.367 where: short stacking energy: -558.084 Base-Backbone interact. energy: 5.054 local terms energy: -531.931876 where: bonds (distance) C4'-P energy: -113.654 bonds (distance) P-C4' energy: -104.000 flat angles C4'-P-C4' energy: -127.925 flat angles P-C4'-P energy: -84.313 tors. eta vs tors. theta energy: -102.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1363.187002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.187002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.187002 (E_RNA) where: Base-Base interactions energy: -881.290 where: short stacking energy: -405.777 Base-Backbone interact. energy: -4.293 local terms energy: -477.604857 where: bonds (distance) C4'-P energy: -131.160 bonds (distance) P-C4' energy: -120.809 flat angles C4'-P-C4' energy: -114.699 flat angles P-C4'-P energy: -51.468 tors. eta vs tors. theta energy: -59.468 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: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3029.029769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.029769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.029769 (E_RNA) where: Base-Base interactions energy: -2145.371 where: short stacking energy: -889.670 Base-Backbone interact. energy: -8.135 local terms energy: -875.523393 where: bonds (distance) C4'-P energy: -158.999 bonds (distance) P-C4' energy: -169.894 flat angles C4'-P-C4' energy: -179.875 flat angles P-C4'-P energy: -123.932 tors. eta vs tors. theta energy: -242.823 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: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2961.625696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.625696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.625696 (E_RNA) where: Base-Base interactions energy: -2110.540 where: short stacking energy: -861.058 Base-Backbone interact. energy: -8.269 local terms energy: -842.816565 where: bonds (distance) C4'-P energy: -148.864 bonds (distance) P-C4' energy: -163.475 flat angles C4'-P-C4' energy: -181.469 flat angles P-C4'-P energy: -124.477 tors. eta vs tors. theta energy: -224.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2831.402991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.402991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.402991 (E_RNA) where: Base-Base interactions energy: -2006.150 where: short stacking energy: -840.950 Base-Backbone interact. energy: -2.938 local terms energy: -822.314314 where: bonds (distance) C4'-P energy: -153.071 bonds (distance) P-C4' energy: -167.843 flat angles C4'-P-C4' energy: -179.874 flat angles P-C4'-P energy: -96.912 tors. eta vs tors. theta energy: -224.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2788.891062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.891062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.891062 (E_RNA) where: Base-Base interactions energy: -2000.611 where: short stacking energy: -847.043 Base-Backbone interact. energy: -2.806 local terms energy: -785.474315 where: bonds (distance) C4'-P energy: -131.835 bonds (distance) P-C4' energy: -130.876 flat angles C4'-P-C4' energy: -176.842 flat angles P-C4'-P energy: -112.088 tors. eta vs tors. theta energy: -233.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2607.454930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.454930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.454930 (E_RNA) where: Base-Base interactions energy: -1844.892 where: short stacking energy: -806.548 Base-Backbone interact. energy: -1.573 local terms energy: -760.990040 where: bonds (distance) C4'-P energy: -140.840 bonds (distance) P-C4' energy: -134.788 flat angles C4'-P-C4' energy: -153.054 flat angles P-C4'-P energy: -111.800 tors. eta vs tors. theta energy: -220.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2559.759809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.759809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.759809 (E_RNA) where: Base-Base interactions energy: -1816.186 where: short stacking energy: -758.839 Base-Backbone interact. energy: -4.055 local terms energy: -739.518987 where: bonds (distance) C4'-P energy: -123.228 bonds (distance) P-C4' energy: -148.817 flat angles C4'-P-C4' energy: -169.339 flat angles P-C4'-P energy: -88.364 tors. eta vs tors. theta energy: -209.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2377.261586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.261586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.261586 (E_RNA) where: Base-Base interactions energy: -1664.794 where: short stacking energy: -671.092 Base-Backbone interact. energy: -0.340 local terms energy: -712.126843 where: bonds (distance) C4'-P energy: -148.606 bonds (distance) P-C4' energy: -124.793 flat angles C4'-P-C4' energy: -141.454 flat angles P-C4'-P energy: -120.268 tors. eta vs tors. theta energy: -177.006 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: 8, replica: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -2204.666283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.666283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.666283 (E_RNA) where: Base-Base interactions energy: -1506.007 where: short stacking energy: -660.416 Base-Backbone interact. energy: -1.069 local terms energy: -697.590374 where: bonds (distance) C4'-P energy: -108.103 bonds (distance) P-C4' energy: -150.731 flat angles C4'-P-C4' energy: -155.697 flat angles P-C4'-P energy: -102.900 tors. eta vs tors. theta energy: -180.158 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: 442 Temperature: 1.300000 Total energy: -1710.320421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.320421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.320421 (E_RNA) where: Base-Base interactions energy: -1124.855 where: short stacking energy: -532.184 Base-Backbone interact. energy: -2.952 local terms energy: -582.513423 where: bonds (distance) C4'-P energy: -125.955 bonds (distance) P-C4' energy: -121.000 flat angles C4'-P-C4' energy: -130.027 flat angles P-C4'-P energy: -99.791 tors. eta vs tors. theta energy: -105.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1370.663344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.663344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.663344 (E_RNA) where: Base-Base interactions energy: -899.735 where: short stacking energy: -442.725 Base-Backbone interact. energy: -1.710 local terms energy: -469.219113 where: bonds (distance) C4'-P energy: -102.660 bonds (distance) P-C4' energy: -122.845 flat angles C4'-P-C4' energy: -109.066 flat angles P-C4'-P energy: -78.151 tors. eta vs tors. theta energy: -56.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3043.945924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.945924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.945924 (E_RNA) where: Base-Base interactions energy: -2160.153 where: short stacking energy: -899.669 Base-Backbone interact. energy: -3.312 local terms energy: -880.481106 where: bonds (distance) C4'-P energy: -156.605 bonds (distance) P-C4' energy: -156.912 flat angles C4'-P-C4' energy: -190.619 flat angles P-C4'-P energy: -130.044 tors. eta vs tors. theta energy: -246.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2941.648628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.648628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.648628 (E_RNA) where: Base-Base interactions energy: -2095.700 where: short stacking energy: -879.695 Base-Backbone interact. energy: -2.644 local terms energy: -843.304838 where: bonds (distance) C4'-P energy: -152.364 bonds (distance) P-C4' energy: -171.370 flat angles C4'-P-C4' energy: -177.141 flat angles P-C4'-P energy: -115.599 tors. eta vs tors. theta energy: -226.830 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: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2841.865243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.865243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.865243 (E_RNA) where: Base-Base interactions energy: -2002.904 where: short stacking energy: -833.530 Base-Backbone interact. energy: -2.351 local terms energy: -836.610392 where: bonds (distance) C4'-P energy: -161.864 bonds (distance) P-C4' energy: -155.031 flat angles C4'-P-C4' energy: -181.908 flat angles P-C4'-P energy: -112.011 tors. eta vs tors. theta energy: -225.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2852.089939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.089939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.089939 (E_RNA) where: Base-Base interactions energy: -2031.778 where: short stacking energy: -851.788 Base-Backbone interact. energy: -3.391 local terms energy: -816.921446 where: bonds (distance) C4'-P energy: -141.780 bonds (distance) P-C4' energy: -145.620 flat angles C4'-P-C4' energy: -175.788 flat angles P-C4'-P energy: -121.402 tors. eta vs tors. theta energy: -232.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2618.915151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.915151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.915151 (E_RNA) where: Base-Base interactions energy: -1837.293 where: short stacking energy: -803.741 Base-Backbone interact. energy: 2.792 local terms energy: -784.415056 where: bonds (distance) C4'-P energy: -144.222 bonds (distance) P-C4' energy: -132.202 flat angles C4'-P-C4' energy: -167.781 flat angles P-C4'-P energy: -113.855 tors. eta vs tors. theta energy: -226.356 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: 6, replica: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2622.794766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.794766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.794766 (E_RNA) where: Base-Base interactions energy: -1865.985 where: short stacking energy: -778.699 Base-Backbone interact. energy: -0.473 local terms energy: -756.336900 where: bonds (distance) C4'-P energy: -128.126 bonds (distance) P-C4' energy: -145.278 flat angles C4'-P-C4' energy: -171.013 flat angles P-C4'-P energy: -100.153 tors. eta vs tors. theta energy: -211.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2362.238164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.238164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.238164 (E_RNA) where: Base-Base interactions energy: -1671.399 where: short stacking energy: -688.723 Base-Backbone interact. energy: -1.624 local terms energy: -689.215499 where: bonds (distance) C4'-P energy: -115.810 bonds (distance) P-C4' energy: -143.551 flat angles C4'-P-C4' energy: -158.959 flat angles P-C4'-P energy: -89.153 tors. eta vs tors. theta energy: -181.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -2174.205702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.205702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.205702 (E_RNA) where: Base-Base interactions energy: -1516.587 where: short stacking energy: -641.446 Base-Backbone interact. energy: -4.437 local terms energy: -653.181174 where: bonds (distance) C4'-P energy: -125.844 bonds (distance) P-C4' energy: -115.160 flat angles C4'-P-C4' energy: -140.596 flat angles P-C4'-P energy: -99.331 tors. eta vs tors. theta energy: -172.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1732.231775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.231775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.231775 (E_RNA) where: Base-Base interactions energy: -1153.174 where: short stacking energy: -539.137 Base-Backbone interact. energy: 2.487 local terms energy: -581.544461 where: bonds (distance) C4'-P energy: -134.129 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -138.250 flat angles P-C4'-P energy: -76.984 tors. eta vs tors. theta energy: -99.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1315.512137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.512137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.512137 (E_RNA) where: Base-Base interactions energy: -831.271 where: short stacking energy: -377.864 Base-Backbone interact. energy: 4.892 local terms energy: -489.133493 where: bonds (distance) C4'-P energy: -129.388 bonds (distance) P-C4' energy: -138.546 flat angles C4'-P-C4' energy: -131.306 flat angles P-C4'-P energy: -50.678 tors. eta vs tors. theta energy: -39.215 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: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3011.995346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.995346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.995346 (E_RNA) where: Base-Base interactions energy: -2162.289 where: short stacking energy: -896.585 Base-Backbone interact. energy: -2.445 local terms energy: -847.261207 where: bonds (distance) C4'-P energy: -147.999 bonds (distance) P-C4' energy: -167.580 flat angles C4'-P-C4' energy: -179.643 flat angles P-C4'-P energy: -111.349 tors. eta vs tors. theta energy: -240.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2967.960859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.960859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.960859 (E_RNA) where: Base-Base interactions energy: -2133.555 where: short stacking energy: -858.056 Base-Backbone interact. energy: -2.931 local terms energy: -831.474899 where: bonds (distance) C4'-P energy: -163.086 bonds (distance) P-C4' energy: -159.509 flat angles C4'-P-C4' energy: -169.142 flat angles P-C4'-P energy: -114.623 tors. eta vs tors. theta energy: -225.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2874.402109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.402109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.402109 (E_RNA) where: Base-Base interactions energy: -2046.139 where: short stacking energy: -886.282 Base-Backbone interact. energy: -3.140 local terms energy: -825.123721 where: bonds (distance) C4'-P energy: -146.153 bonds (distance) P-C4' energy: -144.101 flat angles C4'-P-C4' energy: -166.795 flat angles P-C4'-P energy: -131.124 tors. eta vs tors. theta energy: -236.951 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: 4, replica: 10 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2754.458150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.458150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.458150 (E_RNA) where: Base-Base interactions energy: -1947.912 where: short stacking energy: -805.212 Base-Backbone interact. energy: -1.896 local terms energy: -804.650627 where: bonds (distance) C4'-P energy: -157.630 bonds (distance) P-C4' energy: -147.393 flat angles C4'-P-C4' energy: -173.731 flat angles P-C4'-P energy: -106.741 tors. eta vs tors. theta energy: -219.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2675.172400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.172400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.172400 (E_RNA) where: Base-Base interactions energy: -1899.187 where: short stacking energy: -785.102 Base-Backbone interact. energy: -2.817 local terms energy: -773.168037 where: bonds (distance) C4'-P energy: -142.186 bonds (distance) P-C4' energy: -146.057 flat angles C4'-P-C4' energy: -169.333 flat angles P-C4'-P energy: -115.319 tors. eta vs tors. theta energy: -200.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2582.811035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.811035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.811035 (E_RNA) where: Base-Base interactions energy: -1824.176 where: short stacking energy: -783.107 Base-Backbone interact. energy: -0.521 local terms energy: -758.113942 where: bonds (distance) C4'-P energy: -130.671 bonds (distance) P-C4' energy: -136.566 flat angles C4'-P-C4' energy: -165.158 flat angles P-C4'-P energy: -104.830 tors. eta vs tors. theta energy: -220.889 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: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2405.096530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.096530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.096530 (E_RNA) where: Base-Base interactions energy: -1713.703 where: short stacking energy: -715.228 Base-Backbone interact. energy: 0.063 local terms energy: -691.456398 where: bonds (distance) C4'-P energy: -148.152 bonds (distance) P-C4' energy: -128.696 flat angles C4'-P-C4' energy: -144.757 flat angles P-C4'-P energy: -91.259 tors. eta vs tors. theta energy: -178.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -2236.198473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.198473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.198473 (E_RNA) where: Base-Base interactions energy: -1553.698 where: short stacking energy: -681.840 Base-Backbone interact. energy: -1.420 local terms energy: -681.080560 where: bonds (distance) C4'-P energy: -113.691 bonds (distance) P-C4' energy: -138.687 flat angles C4'-P-C4' energy: -153.407 flat angles P-C4'-P energy: -97.954 tors. eta vs tors. theta energy: -177.343 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: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1710.175636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.175636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.175636 (E_RNA) where: Base-Base interactions energy: -1124.878 where: short stacking energy: -504.797 Base-Backbone interact. energy: -2.965 local terms energy: -582.332306 where: bonds (distance) C4'-P energy: -124.365 bonds (distance) P-C4' energy: -144.604 flat angles C4'-P-C4' energy: -143.840 flat angles P-C4'-P energy: -69.857 tors. eta vs tors. theta energy: -99.666 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: 444 Temperature: 1.350000 Total energy: -1291.771710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.771710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.771710 (E_RNA) where: Base-Base interactions energy: -812.934 where: short stacking energy: -357.691 Base-Backbone interact. energy: 5.381 local terms energy: -484.219095 where: bonds (distance) C4'-P energy: -124.871 bonds (distance) P-C4' energy: -150.003 flat angles C4'-P-C4' energy: -111.293 flat angles P-C4'-P energy: -66.320 tors. eta vs tors. theta energy: -31.733 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: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3028.522488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.522488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.522488 (E_RNA) where: Base-Base interactions energy: -2149.762 where: short stacking energy: -875.513 Base-Backbone interact. energy: -3.847 local terms energy: -874.913280 where: bonds (distance) C4'-P energy: -164.865 bonds (distance) P-C4' energy: -153.449 flat angles C4'-P-C4' energy: -180.647 flat angles P-C4'-P energy: -131.734 tors. eta vs tors. theta energy: -244.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2993.998207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.998207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.998207 (E_RNA) where: Base-Base interactions energy: -2150.668 where: short stacking energy: -873.444 Base-Backbone interact. energy: -2.421 local terms energy: -840.908580 where: bonds (distance) C4'-P energy: -137.514 bonds (distance) P-C4' energy: -171.862 flat angles C4'-P-C4' energy: -186.734 flat angles P-C4'-P energy: -117.412 tors. eta vs tors. theta energy: -227.386 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: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2883.709061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.709061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.709061 (E_RNA) where: Base-Base interactions energy: -2058.047 where: short stacking energy: -887.448 Base-Backbone interact. energy: -0.209 local terms energy: -825.453250 where: bonds (distance) C4'-P energy: -137.956 bonds (distance) P-C4' energy: -151.479 flat angles C4'-P-C4' energy: -179.261 flat angles P-C4'-P energy: -125.107 tors. eta vs tors. theta energy: -231.650 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: 4, replica: 6 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2756.747855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.747855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.747855 (E_RNA) where: Base-Base interactions energy: -1958.865 where: short stacking energy: -826.765 Base-Backbone interact. energy: -2.331 local terms energy: -795.552008 where: bonds (distance) C4'-P energy: -145.678 bonds (distance) P-C4' energy: -157.350 flat angles C4'-P-C4' energy: -165.455 flat angles P-C4'-P energy: -124.525 tors. eta vs tors. theta energy: -202.544 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: 445 Temperature: 1.100000 Total energy: -2683.819985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.819985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.819985 (E_RNA) where: Base-Base interactions energy: -1918.460 where: short stacking energy: -818.179 Base-Backbone interact. energy: -2.662 local terms energy: -762.698003 where: bonds (distance) C4'-P energy: -115.857 bonds (distance) P-C4' energy: -145.468 flat angles C4'-P-C4' energy: -172.822 flat angles P-C4'-P energy: -114.664 tors. eta vs tors. theta energy: -213.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2579.682331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.682331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.682331 (E_RNA) where: Base-Base interactions energy: -1831.199 where: short stacking energy: -795.991 Base-Backbone interact. energy: -1.814 local terms energy: -746.669149 where: bonds (distance) C4'-P energy: -127.983 bonds (distance) P-C4' energy: -134.424 flat angles C4'-P-C4' energy: -164.872 flat angles P-C4'-P energy: -91.855 tors. eta vs tors. theta energy: -227.536 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2409.427592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.427592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.427592 (E_RNA) where: Base-Base interactions energy: -1734.483 where: short stacking energy: -716.979 Base-Backbone interact. energy: -4.053 local terms energy: -670.891823 where: bonds (distance) C4'-P energy: -124.559 bonds (distance) P-C4' energy: -120.000 flat angles C4'-P-C4' energy: -147.478 flat angles P-C4'-P energy: -99.814 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: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -2169.974561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.974561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.974561 (E_RNA) where: Base-Base interactions energy: -1482.326 where: short stacking energy: -656.667 Base-Backbone interact. energy: -0.349 local terms energy: -687.298972 where: bonds (distance) C4'-P energy: -117.847 bonds (distance) P-C4' energy: -150.482 flat angles C4'-P-C4' energy: -158.426 flat angles P-C4'-P energy: -97.891 tors. eta vs tors. theta energy: -162.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1763.722725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.722725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.722725 (E_RNA) where: Base-Base interactions energy: -1169.238 where: short stacking energy: -506.796 Base-Backbone interact. energy: 2.397 local terms energy: -596.881644 where: bonds (distance) C4'-P energy: -117.041 bonds (distance) P-C4' energy: -140.668 flat angles C4'-P-C4' energy: -140.736 flat angles P-C4'-P energy: -84.688 tors. eta vs tors. theta energy: -113.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1282.024844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.024844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.024844 (E_RNA) where: Base-Base interactions energy: -801.197 where: short stacking energy: -394.639 Base-Backbone interact. energy: -2.110 local terms energy: -478.717999 where: bonds (distance) C4'-P energy: -124.422 bonds (distance) P-C4' energy: -123.449 flat angles C4'-P-C4' energy: -117.549 flat angles P-C4'-P energy: -77.854 tors. eta vs tors. theta energy: -35.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3040.243995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.243995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.243995 (E_RNA) where: Base-Base interactions energy: -2155.836 where: short stacking energy: -900.648 Base-Backbone interact. energy: -5.302 local terms energy: -879.105753 where: bonds (distance) C4'-P energy: -164.832 bonds (distance) P-C4' energy: -175.402 flat angles C4'-P-C4' energy: -179.715 flat angles P-C4'-P energy: -127.930 tors. eta vs tors. theta energy: -231.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2988.931568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.931568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.931568 (E_RNA) where: Base-Base interactions energy: -2158.193 where: short stacking energy: -917.559 Base-Backbone interact. energy: -8.020 local terms energy: -822.718390 where: bonds (distance) C4'-P energy: -132.826 bonds (distance) P-C4' energy: -154.162 flat angles C4'-P-C4' energy: -175.418 flat angles P-C4'-P energy: -114.392 tors. eta vs tors. theta energy: -245.921 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: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2886.129077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.129077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.129077 (E_RNA) where: Base-Base interactions energy: -2062.903 where: short stacking energy: -827.743 Base-Backbone interact. energy: -0.555 local terms energy: -822.670605 where: bonds (distance) C4'-P energy: -155.070 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -185.974 flat angles P-C4'-P energy: -114.592 tors. eta vs tors. theta energy: -229.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2730.690226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.690226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.690226 (E_RNA) where: Base-Base interactions energy: -1923.566 where: short stacking energy: -790.563 Base-Backbone interact. energy: -5.254 local terms energy: -801.870085 where: bonds (distance) C4'-P energy: -150.079 bonds (distance) P-C4' energy: -140.770 flat angles C4'-P-C4' energy: -181.713 flat angles P-C4'-P energy: -122.874 tors. eta vs tors. theta energy: -206.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2676.453302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.453302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.453302 (E_RNA) where: Base-Base interactions energy: -1892.662 where: short stacking energy: -799.717 Base-Backbone interact. energy: -2.951 local terms energy: -780.839498 where: bonds (distance) C4'-P energy: -128.771 bonds (distance) P-C4' energy: -148.161 flat angles C4'-P-C4' energy: -172.728 flat angles P-C4'-P energy: -118.386 tors. eta vs tors. theta energy: -212.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2587.070396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.070396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.070396 (E_RNA) where: Base-Base interactions energy: -1850.845 where: short stacking energy: -796.302 Base-Backbone interact. energy: -4.068 local terms energy: -732.157477 where: bonds (distance) C4'-P energy: -128.506 bonds (distance) P-C4' energy: -133.168 flat angles C4'-P-C4' energy: -152.153 flat angles P-C4'-P energy: -103.660 tors. eta vs tors. theta energy: -214.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2429.092871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.092871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.092871 (E_RNA) where: Base-Base interactions energy: -1700.963 where: short stacking energy: -746.445 Base-Backbone interact. energy: -3.913 local terms energy: -724.216891 where: bonds (distance) C4'-P energy: -138.297 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -163.524 flat angles P-C4'-P energy: -100.869 tors. eta vs tors. theta energy: -185.950 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: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2162.594865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.594865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.594865 (E_RNA) where: Base-Base interactions energy: -1497.973 where: short stacking energy: -673.319 Base-Backbone interact. energy: 1.217 local terms energy: -665.838447 where: bonds (distance) C4'-P energy: -102.222 bonds (distance) P-C4' energy: -154.951 flat angles C4'-P-C4' energy: -135.720 flat angles P-C4'-P energy: -91.957 tors. eta vs tors. theta energy: -180.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1701.414999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.414999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.414999 (E_RNA) where: Base-Base interactions energy: -1131.551 where: short stacking energy: -515.997 Base-Backbone interact. energy: -1.808 local terms energy: -568.055687 where: bonds (distance) C4'-P energy: -123.442 bonds (distance) P-C4' energy: -107.064 flat angles C4'-P-C4' energy: -124.092 flat angles P-C4'-P energy: -108.855 tors. eta vs tors. theta energy: -104.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1281.741361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.741361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.741361 (E_RNA) where: Base-Base interactions energy: -827.411 where: short stacking energy: -378.483 Base-Backbone interact. energy: -1.815 local terms energy: -452.515554 where: bonds (distance) C4'-P energy: -117.445 bonds (distance) P-C4' energy: -105.395 flat angles C4'-P-C4' energy: -118.126 flat angles P-C4'-P energy: -69.928 tors. eta vs tors. theta energy: -41.621 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: 2 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3031.349618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.349618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.349618 (E_RNA) where: Base-Base interactions energy: -2178.484 where: short stacking energy: -887.617 Base-Backbone interact. energy: -0.346 local terms energy: -852.520496 where: bonds (distance) C4'-P energy: -150.694 bonds (distance) P-C4' energy: -164.034 flat angles C4'-P-C4' energy: -182.972 flat angles P-C4'-P energy: -126.112 tors. eta vs tors. theta energy: -228.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2964.593055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.593055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.593055 (E_RNA) where: Base-Base interactions energy: -2126.856 where: short stacking energy: -875.961 Base-Backbone interact. energy: -2.862 local terms energy: -834.875045 where: bonds (distance) C4'-P energy: -151.967 bonds (distance) P-C4' energy: -165.738 flat angles C4'-P-C4' energy: -167.138 flat angles P-C4'-P energy: -113.620 tors. eta vs tors. theta energy: -236.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2880.555896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.555896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.555896 (E_RNA) where: Base-Base interactions energy: -2044.344 where: short stacking energy: -880.095 Base-Backbone interact. energy: -2.778 local terms energy: -833.434162 where: bonds (distance) C4'-P energy: -146.253 bonds (distance) P-C4' energy: -155.582 flat angles C4'-P-C4' energy: -167.574 flat angles P-C4'-P energy: -117.798 tors. eta vs tors. theta energy: -246.228 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: 4, replica: 6 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2691.121451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.121451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.121451 (E_RNA) where: Base-Base interactions energy: -1899.968 where: short stacking energy: -798.992 Base-Backbone interact. energy: 3.164 local terms energy: -794.317684 where: bonds (distance) C4'-P energy: -142.473 bonds (distance) P-C4' energy: -160.513 flat angles C4'-P-C4' energy: -167.150 flat angles P-C4'-P energy: -102.580 tors. eta vs tors. theta energy: -221.602 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: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2603.075182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.075182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.075182 (E_RNA) where: Base-Base interactions energy: -1842.262 where: short stacking energy: -792.078 Base-Backbone interact. energy: -4.157 local terms energy: -756.655522 where: bonds (distance) C4'-P energy: -149.817 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -148.537 flat angles P-C4'-P energy: -98.515 tors. eta vs tors. theta energy: -207.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2509.122626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.122626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.122626 (E_RNA) where: Base-Base interactions energy: -1811.153 where: short stacking energy: -781.163 Base-Backbone interact. energy: -2.295 local terms energy: -695.675314 where: bonds (distance) C4'-P energy: -127.277 bonds (distance) P-C4' energy: -135.459 flat angles C4'-P-C4' energy: -164.130 flat angles P-C4'-P energy: -79.067 tors. eta vs tors. theta energy: -189.743 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: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2370.746562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.746562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.746562 (E_RNA) where: Base-Base interactions energy: -1727.253 where: short stacking energy: -719.034 Base-Backbone interact. energy: -1.652 local terms energy: -641.842387 where: bonds (distance) C4'-P energy: -128.246 bonds (distance) P-C4' energy: -112.224 flat angles C4'-P-C4' energy: -131.642 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -183.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -2194.809247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.809247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.809247 (E_RNA) where: Base-Base interactions energy: -1508.314 where: short stacking energy: -663.497 Base-Backbone interact. energy: -1.191 local terms energy: -685.303488 where: bonds (distance) C4'-P energy: -132.443 bonds (distance) P-C4' energy: -126.749 flat angles C4'-P-C4' energy: -140.996 flat angles P-C4'-P energy: -101.610 tors. eta vs tors. theta energy: -183.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1904.157703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.157703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.157703 (E_RNA) where: Base-Base interactions energy: -1289.209 where: short stacking energy: -567.683 Base-Backbone interact. energy: -1.057 local terms energy: -613.891985 where: bonds (distance) C4'-P energy: -114.435 bonds (distance) P-C4' energy: -126.420 flat angles C4'-P-C4' energy: -154.270 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -138.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1195.169201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.169201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.169201 (E_RNA) where: Base-Base interactions energy: -710.071 where: short stacking energy: -373.333 Base-Backbone interact. energy: 0.985 local terms energy: -486.083661 where: bonds (distance) C4'-P energy: -115.148 bonds (distance) P-C4' energy: -164.304 flat angles C4'-P-C4' energy: -105.745 flat angles P-C4'-P energy: -69.154 tors. eta vs tors. theta energy: -31.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3031.714215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.714215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.714215 (E_RNA) where: Base-Base interactions energy: -2163.563 where: short stacking energy: -882.846 Base-Backbone interact. energy: -5.038 local terms energy: -863.113121 where: bonds (distance) C4'-P energy: -152.300 bonds (distance) P-C4' energy: -159.733 flat angles C4'-P-C4' energy: -184.117 flat angles P-C4'-P energy: -126.319 tors. eta vs tors. theta energy: -240.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2944.394933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.394933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.394933 (E_RNA) where: Base-Base interactions energy: -2107.035 where: short stacking energy: -849.659 Base-Backbone interact. energy: -2.472 local terms energy: -834.887979 where: bonds (distance) C4'-P energy: -146.172 bonds (distance) P-C4' energy: -161.795 flat angles C4'-P-C4' energy: -180.563 flat angles P-C4'-P energy: -118.757 tors. eta vs tors. theta energy: -227.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2881.677913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.677913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.677913 (E_RNA) where: Base-Base interactions energy: -2036.638 where: short stacking energy: -867.364 Base-Backbone interact. energy: -5.637 local terms energy: -839.402659 where: bonds (distance) C4'-P energy: -141.769 bonds (distance) P-C4' energy: -142.528 flat angles C4'-P-C4' energy: -170.866 flat angles P-C4'-P energy: -136.583 tors. eta vs tors. theta energy: -247.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2717.106652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.106652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.106652 (E_RNA) where: Base-Base interactions energy: -1915.649 where: short stacking energy: -797.904 Base-Backbone interact. energy: -3.107 local terms energy: -798.351014 where: bonds (distance) C4'-P energy: -152.692 bonds (distance) P-C4' energy: -138.883 flat angles C4'-P-C4' energy: -179.791 flat angles P-C4'-P energy: -119.678 tors. eta vs tors. theta energy: -207.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2611.693818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.693818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.693818 (E_RNA) where: Base-Base interactions energy: -1842.877 where: short stacking energy: -764.981 Base-Backbone interact. energy: -2.021 local terms energy: -766.794921 where: bonds (distance) C4'-P energy: -133.725 bonds (distance) P-C4' energy: -138.145 flat angles C4'-P-C4' energy: -170.846 flat angles P-C4'-P energy: -118.852 tors. eta vs tors. theta energy: -205.228 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: 448 Temperature: 1.150000 Total energy: -2526.397343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.397343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.397343 (E_RNA) where: Base-Base interactions energy: -1763.299 where: short stacking energy: -767.805 Base-Backbone interact. energy: -6.162 local terms energy: -756.937066 where: bonds (distance) C4'-P energy: -137.927 bonds (distance) P-C4' energy: -157.065 flat angles C4'-P-C4' energy: -160.839 flat angles P-C4'-P energy: -105.626 tors. eta vs tors. theta energy: -195.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2330.376408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.376408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.376408 (E_RNA) where: Base-Base interactions energy: -1707.331 where: short stacking energy: -697.275 Base-Backbone interact. energy: -3.130 local terms energy: -619.915814 where: bonds (distance) C4'-P energy: -117.806 bonds (distance) P-C4' energy: -111.869 flat angles C4'-P-C4' energy: -121.353 flat angles P-C4'-P energy: -95.022 tors. eta vs tors. theta energy: -173.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -2190.482663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.482663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.482663 (E_RNA) where: Base-Base interactions energy: -1497.446 where: short stacking energy: -675.859 Base-Backbone interact. energy: -3.552 local terms energy: -689.484063 where: bonds (distance) C4'-P energy: -124.863 bonds (distance) P-C4' energy: -152.716 flat angles C4'-P-C4' energy: -155.225 flat angles P-C4'-P energy: -85.673 tors. eta vs tors. theta energy: -171.007 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: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1877.545691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.545691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.545691 (E_RNA) where: Base-Base interactions energy: -1277.271 where: short stacking energy: -551.534 Base-Backbone interact. energy: 2.602 local terms energy: -602.876484 where: bonds (distance) C4'-P energy: -121.290 bonds (distance) P-C4' energy: -106.133 flat angles C4'-P-C4' energy: -143.120 flat angles P-C4'-P energy: -89.353 tors. eta vs tors. theta energy: -142.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1294.391628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.391628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.391628 (E_RNA) where: Base-Base interactions energy: -822.091 where: short stacking energy: -391.947 Base-Backbone interact. energy: 7.808 local terms energy: -480.108385 where: bonds (distance) C4'-P energy: -113.929 bonds (distance) P-C4' energy: -120.514 flat angles C4'-P-C4' energy: -130.382 flat angles P-C4'-P energy: -73.782 tors. eta vs tors. theta energy: -41.502 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: 1, replica: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3028.603085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.603085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.603085 (E_RNA) where: Base-Base interactions energy: -2184.897 where: short stacking energy: -887.086 Base-Backbone interact. energy: -7.512 local terms energy: -836.194589 where: bonds (distance) C4'-P energy: -148.732 bonds (distance) P-C4' energy: -161.745 flat angles C4'-P-C4' energy: -183.465 flat angles P-C4'-P energy: -106.950 tors. eta vs tors. theta energy: -235.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2957.157855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.157855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.157855 (E_RNA) where: Base-Base interactions energy: -2122.752 where: short stacking energy: -871.403 Base-Backbone interact. energy: -2.429 local terms energy: -831.977354 where: bonds (distance) C4'-P energy: -129.044 bonds (distance) P-C4' energy: -172.719 flat angles C4'-P-C4' energy: -184.251 flat angles P-C4'-P energy: -129.272 tors. eta vs tors. theta energy: -216.692 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: 449 Temperature: 1.000000 Total energy: -2913.618914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.618914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.618914 (E_RNA) where: Base-Base interactions energy: -2066.416 where: short stacking energy: -894.549 Base-Backbone interact. energy: -3.519 local terms energy: -843.684480 where: bonds (distance) C4'-P energy: -155.138 bonds (distance) P-C4' energy: -151.220 flat angles C4'-P-C4' energy: -170.183 flat angles P-C4'-P energy: -119.531 tors. eta vs tors. theta energy: -247.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2694.980694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.980694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.980694 (E_RNA) where: Base-Base interactions energy: -1884.520 where: short stacking energy: -802.799 Base-Backbone interact. energy: -4.999 local terms energy: -805.461842 where: bonds (distance) C4'-P energy: -147.884 bonds (distance) P-C4' energy: -158.797 flat angles C4'-P-C4' energy: -174.092 flat angles P-C4'-P energy: -109.463 tors. eta vs tors. theta energy: -215.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2680.237900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.237900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.237900 (E_RNA) where: Base-Base interactions energy: -1913.599 where: short stacking energy: -793.136 Base-Backbone interact. energy: -0.136 local terms energy: -766.502721 where: bonds (distance) C4'-P energy: -138.568 bonds (distance) P-C4' energy: -127.457 flat angles C4'-P-C4' energy: -174.700 flat angles P-C4'-P energy: -112.198 tors. eta vs tors. theta energy: -213.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2539.732597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.732597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.732597 (E_RNA) where: Base-Base interactions energy: -1801.640 where: short stacking energy: -753.764 Base-Backbone interact. energy: -2.263 local terms energy: -735.828997 where: bonds (distance) C4'-P energy: -135.036 bonds (distance) P-C4' energy: -137.882 flat angles C4'-P-C4' energy: -158.179 flat angles P-C4'-P energy: -98.820 tors. eta vs tors. theta energy: -205.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2397.358999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.358999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.358999 (E_RNA) where: Base-Base interactions energy: -1694.940 where: short stacking energy: -722.184 Base-Backbone interact. energy: -0.039 local terms energy: -702.379174 where: bonds (distance) C4'-P energy: -109.527 bonds (distance) P-C4' energy: -149.240 flat angles C4'-P-C4' energy: -159.574 flat angles P-C4'-P energy: -93.969 tors. eta vs tors. theta energy: -190.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -2207.596722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.596722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.596722 (E_RNA) where: Base-Base interactions energy: -1554.301 where: short stacking energy: -698.230 Base-Backbone interact. energy: -3.201 local terms energy: -650.093878 where: bonds (distance) C4'-P energy: -126.588 bonds (distance) P-C4' energy: -124.447 flat angles C4'-P-C4' energy: -146.518 flat angles P-C4'-P energy: -84.093 tors. eta vs tors. theta energy: -168.447 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: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1881.092319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.092319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.092319 (E_RNA) where: Base-Base interactions energy: -1246.317 where: short stacking energy: -542.453 Base-Backbone interact. energy: -2.109 local terms energy: -632.666667 where: bonds (distance) C4'-P energy: -139.134 bonds (distance) P-C4' energy: -127.835 flat angles C4'-P-C4' energy: -137.773 flat angles P-C4'-P energy: -106.661 tors. eta vs tors. theta energy: -121.263 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: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1180.408870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.408870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.408870 (E_RNA) where: Base-Base interactions energy: -715.282 where: short stacking energy: -347.391 Base-Backbone interact. energy: 2.772 local terms energy: -467.898955 where: bonds (distance) C4'-P energy: -110.184 bonds (distance) P-C4' energy: -121.275 flat angles C4'-P-C4' energy: -120.918 flat angles P-C4'-P energy: -82.612 tors. eta vs tors. theta energy: -32.910 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: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3030.989010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.989010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.989010 (E_RNA) where: Base-Base interactions energy: -2179.179 where: short stacking energy: -876.598 Base-Backbone interact. energy: -1.681 local terms energy: -850.128819 where: bonds (distance) C4'-P energy: -161.418 bonds (distance) P-C4' energy: -152.604 flat angles C4'-P-C4' energy: -189.543 flat angles P-C4'-P energy: -111.044 tors. eta vs tors. theta energy: -235.520 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: 2, replica: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2968.359905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.359905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.359905 (E_RNA) where: Base-Base interactions energy: -2132.349 where: short stacking energy: -899.726 Base-Backbone interact. energy: -1.946 local terms energy: -834.065573 where: bonds (distance) C4'-P energy: -148.394 bonds (distance) P-C4' energy: -157.131 flat angles C4'-P-C4' energy: -161.271 flat angles P-C4'-P energy: -128.574 tors. eta vs tors. theta energy: -238.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2903.546075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.546075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.546075 (E_RNA) where: Base-Base interactions energy: -2049.630 where: short stacking energy: -895.263 Base-Backbone interact. energy: 1.344 local terms energy: -855.259567 where: bonds (distance) C4'-P energy: -160.128 bonds (distance) P-C4' energy: -143.638 flat angles C4'-P-C4' energy: -180.295 flat angles P-C4'-P energy: -119.776 tors. eta vs tors. theta energy: -251.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2745.680763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.680763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.680763 (E_RNA) where: Base-Base interactions energy: -1939.931 where: short stacking energy: -821.667 Base-Backbone interact. energy: -4.475 local terms energy: -801.274852 where: bonds (distance) C4'-P energy: -143.586 bonds (distance) P-C4' energy: -154.756 flat angles C4'-P-C4' energy: -161.155 flat angles P-C4'-P energy: -110.179 tors. eta vs tors. theta energy: -231.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2678.621785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.621785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.621785 (E_RNA) where: Base-Base interactions energy: -1902.039 where: short stacking energy: -810.153 Base-Backbone interact. energy: 2.420 local terms energy: -779.002162 where: bonds (distance) C4'-P energy: -131.947 bonds (distance) P-C4' energy: -144.557 flat angles C4'-P-C4' energy: -167.924 flat angles P-C4'-P energy: -128.172 tors. eta vs tors. theta energy: -206.402 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: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2522.812584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.812584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.812584 (E_RNA) where: Base-Base interactions energy: -1776.751 where: short stacking energy: -801.822 Base-Backbone interact. energy: -1.717 local terms energy: -744.344742 where: bonds (distance) C4'-P energy: -118.636 bonds (distance) P-C4' energy: -145.202 flat angles C4'-P-C4' energy: -165.773 flat angles P-C4'-P energy: -101.582 tors. eta vs tors. theta energy: -213.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2365.176013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.176013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.176013 (E_RNA) where: Base-Base interactions energy: -1656.437 where: short stacking energy: -695.391 Base-Backbone interact. energy: -1.990 local terms energy: -706.749142 where: bonds (distance) C4'-P energy: -138.215 bonds (distance) P-C4' energy: -128.598 flat angles C4'-P-C4' energy: -157.999 flat angles P-C4'-P energy: -105.178 tors. eta vs tors. theta energy: -176.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2189.735865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.735865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.735865 (E_RNA) where: Base-Base interactions energy: -1528.327 where: short stacking energy: -656.833 Base-Backbone interact. energy: 7.609 local terms energy: -669.018377 where: bonds (distance) C4'-P energy: -115.974 bonds (distance) P-C4' energy: -144.616 flat angles C4'-P-C4' energy: -145.612 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -164.981 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: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1908.937198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.937198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.937198 (E_RNA) where: Base-Base interactions energy: -1321.902 where: short stacking energy: -575.724 Base-Backbone interact. energy: 1.661 local terms energy: -588.696824 where: bonds (distance) C4'-P energy: -105.331 bonds (distance) P-C4' energy: -109.169 flat angles C4'-P-C4' energy: -155.014 flat angles P-C4'-P energy: -97.147 tors. eta vs tors. theta energy: -122.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1259.343472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.343472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.343472 (E_RNA) where: Base-Base interactions energy: -757.045 where: short stacking energy: -392.500 Base-Backbone interact. energy: -1.263 local terms energy: -501.035720 where: bonds (distance) C4'-P energy: -125.112 bonds (distance) P-C4' energy: -128.988 flat angles C4'-P-C4' energy: -119.123 flat angles P-C4'-P energy: -79.533 tors. eta vs tors. theta energy: -48.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3021.298433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.298433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.298433 (E_RNA) where: Base-Base interactions energy: -2143.467 where: short stacking energy: -876.138 Base-Backbone interact. energy: -0.305 local terms energy: -877.527193 where: bonds (distance) C4'-P energy: -163.487 bonds (distance) P-C4' energy: -163.605 flat angles C4'-P-C4' energy: -190.798 flat angles P-C4'-P energy: -119.823 tors. eta vs tors. theta energy: -239.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2971.654931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.654931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.654931 (E_RNA) where: Base-Base interactions energy: -2126.758 where: short stacking energy: -861.670 Base-Backbone interact. energy: -7.060 local terms energy: -837.836567 where: bonds (distance) C4'-P energy: -137.866 bonds (distance) P-C4' energy: -159.613 flat angles C4'-P-C4' energy: -187.634 flat angles P-C4'-P energy: -119.253 tors. eta vs tors. theta energy: -233.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2883.065281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.065281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.065281 (E_RNA) where: Base-Base interactions energy: -2059.366 where: short stacking energy: -846.122 Base-Backbone interact. energy: -2.526 local terms energy: -821.172859 where: bonds (distance) C4'-P energy: -150.865 bonds (distance) P-C4' energy: -141.220 flat angles C4'-P-C4' energy: -183.045 flat angles P-C4'-P energy: -117.152 tors. eta vs tors. theta energy: -228.892 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: 10 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2722.488127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.488127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.488127 (E_RNA) where: Base-Base interactions energy: -1940.724 where: short stacking energy: -788.134 Base-Backbone interact. energy: -4.030 local terms energy: -777.734446 where: bonds (distance) C4'-P energy: -143.912 bonds (distance) P-C4' energy: -141.108 flat angles C4'-P-C4' energy: -170.497 flat angles P-C4'-P energy: -114.467 tors. eta vs tors. theta energy: -207.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2693.046119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.046119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.046119 (E_RNA) where: Base-Base interactions energy: -1902.333 where: short stacking energy: -814.323 Base-Backbone interact. energy: -4.784 local terms energy: -785.929349 where: bonds (distance) C4'-P energy: -142.677 bonds (distance) P-C4' energy: -131.995 flat angles C4'-P-C4' energy: -172.804 flat angles P-C4'-P energy: -119.894 tors. eta vs tors. theta energy: -218.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2481.978741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.978741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.978741 (E_RNA) where: Base-Base interactions energy: -1741.178 where: short stacking energy: -741.327 Base-Backbone interact. energy: -5.628 local terms energy: -735.172375 where: bonds (distance) C4'-P energy: -130.097 bonds (distance) P-C4' energy: -129.333 flat angles C4'-P-C4' energy: -160.434 flat angles P-C4'-P energy: -110.204 tors. eta vs tors. theta energy: -205.104 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: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2442.225480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.225480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.225480 (E_RNA) where: Base-Base interactions energy: -1724.999 where: short stacking energy: -728.777 Base-Backbone interact. energy: -0.181 local terms energy: -717.045696 where: bonds (distance) C4'-P energy: -129.728 bonds (distance) P-C4' energy: -145.915 flat angles C4'-P-C4' energy: -162.780 flat angles P-C4'-P energy: -89.260 tors. eta vs tors. theta energy: -189.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -2267.250298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.250298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.250298 (E_RNA) where: Base-Base interactions energy: -1571.031 where: short stacking energy: -695.884 Base-Backbone interact. energy: -3.164 local terms energy: -693.055376 where: bonds (distance) C4'-P energy: -133.339 bonds (distance) P-C4' energy: -130.985 flat angles C4'-P-C4' energy: -155.604 flat angles P-C4'-P energy: -85.735 tors. eta vs tors. theta energy: -187.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1876.888542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.888542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.888542 (E_RNA) where: Base-Base interactions energy: -1263.743 where: short stacking energy: -534.050 Base-Backbone interact. energy: -1.791 local terms energy: -611.354182 where: bonds (distance) C4'-P energy: -133.244 bonds (distance) P-C4' energy: -120.898 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -75.129 tors. eta vs tors. theta energy: -128.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1182.850919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.850919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.850919 (E_RNA) where: Base-Base interactions energy: -717.324 where: short stacking energy: -333.416 Base-Backbone interact. energy: 6.123 local terms energy: -471.649732 where: bonds (distance) C4'-P energy: -116.695 bonds (distance) P-C4' energy: -130.148 flat angles C4'-P-C4' energy: -113.069 flat angles P-C4'-P energy: -82.645 tors. eta vs tors. theta energy: -29.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3050.080917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.080917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.080917 (E_RNA) where: Base-Base interactions energy: -2188.479 where: short stacking energy: -898.185 Base-Backbone interact. energy: -3.717 local terms energy: -857.884952 where: bonds (distance) C4'-P energy: -158.323 bonds (distance) P-C4' energy: -155.622 flat angles C4'-P-C4' energy: -184.901 flat angles P-C4'-P energy: -111.817 tors. eta vs tors. theta energy: -247.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2949.676473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.676473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.676473 (E_RNA) where: Base-Base interactions energy: -2141.218 where: short stacking energy: -866.450 Base-Backbone interact. energy: -1.870 local terms energy: -806.588793 where: bonds (distance) C4'-P energy: -143.581 bonds (distance) P-C4' energy: -137.274 flat angles C4'-P-C4' energy: -178.997 flat angles P-C4'-P energy: -124.917 tors. eta vs tors. theta energy: -221.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2904.009780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.009780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.009780 (E_RNA) where: Base-Base interactions energy: -2061.861 where: short stacking energy: -856.969 Base-Backbone interact. energy: -1.640 local terms energy: -840.508831 where: bonds (distance) C4'-P energy: -151.226 bonds (distance) P-C4' energy: -146.285 flat angles C4'-P-C4' energy: -178.575 flat angles P-C4'-P energy: -119.639 tors. eta vs tors. theta energy: -244.784 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: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2733.468523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.468523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.468523 (E_RNA) where: Base-Base interactions energy: -1949.213 where: short stacking energy: -768.615 Base-Backbone interact. energy: -1.611 local terms energy: -782.645194 where: bonds (distance) C4'-P energy: -141.296 bonds (distance) P-C4' energy: -138.637 flat angles C4'-P-C4' energy: -173.245 flat angles P-C4'-P energy: -115.389 tors. eta vs tors. theta energy: -214.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2723.260667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.260667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.260667 (E_RNA) where: Base-Base interactions energy: -1917.988 where: short stacking energy: -802.379 Base-Backbone interact. energy: -3.896 local terms energy: -801.377147 where: bonds (distance) C4'-P energy: -147.521 bonds (distance) P-C4' energy: -148.490 flat angles C4'-P-C4' energy: -173.571 flat angles P-C4'-P energy: -112.883 tors. eta vs tors. theta energy: -218.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2524.122155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.122155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.122155 (E_RNA) where: Base-Base interactions energy: -1792.431 where: short stacking energy: -736.991 Base-Backbone interact. energy: -5.215 local terms energy: -726.476157 where: bonds (distance) C4'-P energy: -132.706 bonds (distance) P-C4' energy: -130.842 flat angles C4'-P-C4' energy: -160.684 flat angles P-C4'-P energy: -90.885 tors. eta vs tors. theta energy: -211.359 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: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2351.662900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.662900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.662900 (E_RNA) where: Base-Base interactions energy: -1653.846 where: short stacking energy: -701.144 Base-Backbone interact. energy: -2.739 local terms energy: -695.077623 where: bonds (distance) C4'-P energy: -122.435 bonds (distance) P-C4' energy: -147.733 flat angles C4'-P-C4' energy: -158.450 flat angles P-C4'-P energy: -100.177 tors. eta vs tors. theta energy: -166.282 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: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2229.416035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.416035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.416035 (E_RNA) where: Base-Base interactions energy: -1556.047 where: short stacking energy: -661.620 Base-Backbone interact. energy: -0.861 local terms energy: -672.508152 where: bonds (distance) C4'-P energy: -120.479 bonds (distance) P-C4' energy: -127.025 flat angles C4'-P-C4' energy: -149.807 flat angles P-C4'-P energy: -111.832 tors. eta vs tors. theta energy: -163.366 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: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1899.689388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.689388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.689388 (E_RNA) where: Base-Base interactions energy: -1313.295 where: short stacking energy: -566.434 Base-Backbone interact. energy: 1.174 local terms energy: -587.567900 where: bonds (distance) C4'-P energy: -108.515 bonds (distance) P-C4' energy: -122.113 flat angles C4'-P-C4' energy: -131.335 flat angles P-C4'-P energy: -99.175 tors. eta vs tors. theta energy: -126.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1192.430851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.430851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.430851 (E_RNA) where: Base-Base interactions energy: -765.742 where: short stacking energy: -400.729 Base-Backbone interact. energy: 5.590 local terms energy: -432.278210 where: bonds (distance) C4'-P energy: -110.689 bonds (distance) P-C4' energy: -120.293 flat angles C4'-P-C4' energy: -123.647 flat angles P-C4'-P energy: -28.816 tors. eta vs tors. theta energy: -48.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3030.003287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.003287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.003287 (E_RNA) where: Base-Base interactions energy: -2148.302 where: short stacking energy: -906.660 Base-Backbone interact. energy: -3.431 local terms energy: -878.269949 where: bonds (distance) C4'-P energy: -146.800 bonds (distance) P-C4' energy: -179.083 flat angles C4'-P-C4' energy: -183.058 flat angles P-C4'-P energy: -128.903 tors. eta vs tors. theta energy: -240.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3016.471205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.471205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.471205 (E_RNA) where: Base-Base interactions energy: -2152.415 where: short stacking energy: -925.221 Base-Backbone interact. energy: 3.193 local terms energy: -867.249377 where: bonds (distance) C4'-P energy: -148.942 bonds (distance) P-C4' energy: -162.902 flat angles C4'-P-C4' energy: -184.438 flat angles P-C4'-P energy: -112.647 tors. eta vs tors. theta energy: -258.319 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2859.263766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.263766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.263766 (E_RNA) where: Base-Base interactions energy: -2062.089 where: short stacking energy: -853.995 Base-Backbone interact. energy: -2.125 local terms energy: -795.049913 where: bonds (distance) C4'-P energy: -145.544 bonds (distance) P-C4' energy: -145.471 flat angles C4'-P-C4' energy: -166.928 flat angles P-C4'-P energy: -111.591 tors. eta vs tors. theta energy: -225.516 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: 10 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2735.438741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.438741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.438741 (E_RNA) where: Base-Base interactions energy: -1952.154 where: short stacking energy: -847.037 Base-Backbone interact. energy: -1.577 local terms energy: -781.707352 where: bonds (distance) C4'-P energy: -138.520 bonds (distance) P-C4' energy: -142.766 flat angles C4'-P-C4' energy: -175.054 flat angles P-C4'-P energy: -113.359 tors. eta vs tors. theta energy: -212.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2713.718338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.718338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.718338 (E_RNA) where: Base-Base interactions energy: -1928.346 where: short stacking energy: -802.260 Base-Backbone interact. energy: 0.339 local terms energy: -785.711146 where: bonds (distance) C4'-P energy: -144.162 bonds (distance) P-C4' energy: -142.019 flat angles C4'-P-C4' energy: -170.958 flat angles P-C4'-P energy: -107.557 tors. eta vs tors. theta energy: -221.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2529.846892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.846892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.846892 (E_RNA) where: Base-Base interactions energy: -1780.814 where: short stacking energy: -770.644 Base-Backbone interact. energy: -1.914 local terms energy: -747.118637 where: bonds (distance) C4'-P energy: -127.011 bonds (distance) P-C4' energy: -141.798 flat angles C4'-P-C4' energy: -162.926 flat angles P-C4'-P energy: -104.505 tors. eta vs tors. theta energy: -210.878 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: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2439.917660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.917660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.917660 (E_RNA) where: Base-Base interactions energy: -1719.191 where: short stacking energy: -744.487 Base-Backbone interact. energy: 0.024 local terms energy: -720.750437 where: bonds (distance) C4'-P energy: -127.923 bonds (distance) P-C4' energy: -134.759 flat angles C4'-P-C4' energy: -158.394 flat angles P-C4'-P energy: -99.229 tors. eta vs tors. theta energy: -200.446 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: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -2234.795440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.795440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.795440 (E_RNA) where: Base-Base interactions energy: -1538.037 where: short stacking energy: -661.507 Base-Backbone interact. energy: -2.098 local terms energy: -694.660811 where: bonds (distance) C4'-P energy: -138.780 bonds (distance) P-C4' energy: -136.913 flat angles C4'-P-C4' energy: -158.683 flat angles P-C4'-P energy: -94.745 tors. eta vs tors. theta energy: -165.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1887.321654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.321654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.321654 (E_RNA) where: Base-Base interactions energy: -1315.745 where: short stacking energy: -578.299 Base-Backbone interact. energy: -2.397 local terms energy: -569.180430 where: bonds (distance) C4'-P energy: -107.620 bonds (distance) P-C4' energy: -118.577 flat angles C4'-P-C4' energy: -130.795 flat angles P-C4'-P energy: -84.154 tors. eta vs tors. theta energy: -128.034 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: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1203.263872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.263872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.263872 (E_RNA) where: Base-Base interactions energy: -716.272 where: short stacking energy: -364.652 Base-Backbone interact. energy: 1.203 local terms energy: -488.194445 where: bonds (distance) C4'-P energy: -130.757 bonds (distance) P-C4' energy: -122.895 flat angles C4'-P-C4' energy: -138.834 flat angles P-C4'-P energy: -58.384 tors. eta vs tors. theta energy: -37.326 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: 454 Temperature: 0.900000 Total energy: -3062.330548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.330548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.330548 (E_RNA) where: Base-Base interactions energy: -2184.470 where: short stacking energy: -927.944 Base-Backbone interact. energy: -4.028 local terms energy: -873.832517 where: bonds (distance) C4'-P energy: -156.034 bonds (distance) P-C4' energy: -154.005 flat angles C4'-P-C4' energy: -183.899 flat angles P-C4'-P energy: -123.323 tors. eta vs tors. theta energy: -256.572 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: 3 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2960.545423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.545423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.545423 (E_RNA) where: Base-Base interactions energy: -2105.643 where: short stacking energy: -847.715 Base-Backbone interact. energy: 0.484 local terms energy: -855.386270 where: bonds (distance) C4'-P energy: -170.401 bonds (distance) P-C4' energy: -155.226 flat angles C4'-P-C4' energy: -175.335 flat angles P-C4'-P energy: -119.574 tors. eta vs tors. theta energy: -234.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2856.942262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.942262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.942262 (E_RNA) where: Base-Base interactions energy: -2047.246 where: short stacking energy: -857.646 Base-Backbone interact. energy: -1.081 local terms energy: -808.614303 where: bonds (distance) C4'-P energy: -156.718 bonds (distance) P-C4' energy: -150.706 flat angles C4'-P-C4' energy: -165.858 flat angles P-C4'-P energy: -107.935 tors. eta vs tors. theta energy: -227.396 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: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2727.933784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.933784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.933784 (E_RNA) where: Base-Base interactions energy: -1939.711 where: short stacking energy: -809.558 Base-Backbone interact. energy: 1.076 local terms energy: -789.298762 where: bonds (distance) C4'-P energy: -141.905 bonds (distance) P-C4' energy: -141.515 flat angles C4'-P-C4' energy: -162.816 flat angles P-C4'-P energy: -122.143 tors. eta vs tors. theta energy: -220.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2729.742679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.742679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.742679 (E_RNA) where: Base-Base interactions energy: -1935.397 where: short stacking energy: -808.257 Base-Backbone interact. energy: -5.060 local terms energy: -789.285993 where: bonds (distance) C4'-P energy: -124.297 bonds (distance) P-C4' energy: -158.481 flat angles C4'-P-C4' energy: -170.698 flat angles P-C4'-P energy: -106.715 tors. eta vs tors. theta energy: -229.095 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: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2456.916305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.916305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.916305 (E_RNA) where: Base-Base interactions energy: -1740.353 where: short stacking energy: -746.556 Base-Backbone interact. energy: 2.568 local terms energy: -719.132215 where: bonds (distance) C4'-P energy: -142.312 bonds (distance) P-C4' energy: -135.339 flat angles C4'-P-C4' energy: -145.031 flat angles P-C4'-P energy: -99.763 tors. eta vs tors. theta energy: -196.687 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: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2413.514678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.514678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.514678 (E_RNA) where: Base-Base interactions energy: -1724.883 where: short stacking energy: -704.851 Base-Backbone interact. energy: -2.961 local terms energy: -685.670559 where: bonds (distance) C4'-P energy: -133.679 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -155.471 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -186.660 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: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -2170.218023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.218023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.218023 (E_RNA) where: Base-Base interactions energy: -1531.310 where: short stacking energy: -676.061 Base-Backbone interact. energy: 1.466 local terms energy: -640.374287 where: bonds (distance) C4'-P energy: -125.067 bonds (distance) P-C4' energy: -132.858 flat angles C4'-P-C4' energy: -136.826 flat angles P-C4'-P energy: -76.629 tors. eta vs tors. theta energy: -168.995 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: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1908.170106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.170106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.170106 (E_RNA) where: Base-Base interactions energy: -1294.814 where: short stacking energy: -568.476 Base-Backbone interact. energy: -1.447 local terms energy: -611.909050 where: bonds (distance) C4'-P energy: -137.657 bonds (distance) P-C4' energy: -118.002 flat angles C4'-P-C4' energy: -144.013 flat angles P-C4'-P energy: -83.094 tors. eta vs tors. theta energy: -129.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1250.672172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.672172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.672172 (E_RNA) where: Base-Base interactions energy: -758.488 where: short stacking energy: -371.495 Base-Backbone interact. energy: 1.904 local terms energy: -494.088107 where: bonds (distance) C4'-P energy: -116.221 bonds (distance) P-C4' energy: -140.450 flat angles C4'-P-C4' energy: -123.796 flat angles P-C4'-P energy: -78.970 tors. eta vs tors. theta energy: -34.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3077.343306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.343306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.343306 (E_RNA) where: Base-Base interactions energy: -2183.209 where: short stacking energy: -924.058 Base-Backbone interact. energy: -4.513 local terms energy: -889.621043 where: bonds (distance) C4'-P energy: -159.996 bonds (distance) P-C4' energy: -168.294 flat angles C4'-P-C4' energy: -186.459 flat angles P-C4'-P energy: -125.610 tors. eta vs tors. theta energy: -249.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2993.601321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.601321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.601321 (E_RNA) where: Base-Base interactions energy: -2131.843 where: short stacking energy: -867.976 Base-Backbone interact. energy: -5.698 local terms energy: -856.059896 where: bonds (distance) C4'-P energy: -135.190 bonds (distance) P-C4' energy: -158.466 flat angles C4'-P-C4' energy: -189.054 flat angles P-C4'-P energy: -131.927 tors. eta vs tors. theta energy: -241.422 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: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2895.162737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.162737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.162737 (E_RNA) where: Base-Base interactions energy: -2082.678 where: short stacking energy: -857.122 Base-Backbone interact. energy: -2.245 local terms energy: -810.239826 where: bonds (distance) C4'-P energy: -145.414 bonds (distance) P-C4' energy: -154.866 flat angles C4'-P-C4' energy: -168.565 flat angles P-C4'-P energy: -111.280 tors. eta vs tors. theta energy: -230.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2700.508100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.508100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.508100 (E_RNA) where: Base-Base interactions energy: -1929.453 where: short stacking energy: -789.058 Base-Backbone interact. energy: -2.112 local terms energy: -768.943030 where: bonds (distance) C4'-P energy: -129.931 bonds (distance) P-C4' energy: -150.832 flat angles C4'-P-C4' energy: -177.694 flat angles P-C4'-P energy: -106.159 tors. eta vs tors. theta energy: -204.326 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: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2688.879865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.879865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.879865 (E_RNA) where: Base-Base interactions energy: -1887.880 where: short stacking energy: -795.438 Base-Backbone interact. energy: -4.656 local terms energy: -796.343553 where: bonds (distance) C4'-P energy: -128.817 bonds (distance) P-C4' energy: -137.581 flat angles C4'-P-C4' energy: -188.258 flat angles P-C4'-P energy: -119.034 tors. eta vs tors. theta energy: -222.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2501.749771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.749771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.749771 (E_RNA) where: Base-Base interactions energy: -1747.989 where: short stacking energy: -746.935 Base-Backbone interact. energy: -4.305 local terms energy: -749.455541 where: bonds (distance) C4'-P energy: -142.362 bonds (distance) P-C4' energy: -128.599 flat angles C4'-P-C4' energy: -166.263 flat angles P-C4'-P energy: -92.372 tors. eta vs tors. theta energy: -219.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2345.964333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.964333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.964333 (E_RNA) where: Base-Base interactions energy: -1665.503 where: short stacking energy: -716.648 Base-Backbone interact. energy: -3.592 local terms energy: -676.868701 where: bonds (distance) C4'-P energy: -125.549 bonds (distance) P-C4' energy: -116.609 flat angles C4'-P-C4' energy: -147.957 flat angles P-C4'-P energy: -105.269 tors. eta vs tors. theta energy: -181.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -2240.929053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.929053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.929053 (E_RNA) where: Base-Base interactions energy: -1554.799 where: short stacking energy: -693.611 Base-Backbone interact. energy: -0.311 local terms energy: -685.819145 where: bonds (distance) C4'-P energy: -141.291 bonds (distance) P-C4' energy: -139.394 flat angles C4'-P-C4' energy: -148.376 flat angles P-C4'-P energy: -79.429 tors. eta vs tors. theta energy: -177.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1895.646454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.646454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.646454 (E_RNA) where: Base-Base interactions energy: -1311.010 where: short stacking energy: -558.641 Base-Backbone interact. energy: -0.849 local terms energy: -583.786982 where: bonds (distance) C4'-P energy: -130.026 bonds (distance) P-C4' energy: -124.525 flat angles C4'-P-C4' energy: -140.801 flat angles P-C4'-P energy: -66.929 tors. eta vs tors. theta energy: -121.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1267.895209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.895209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.895209 (E_RNA) where: Base-Base interactions energy: -745.511 where: short stacking energy: -364.355 Base-Backbone interact. energy: 4.515 local terms energy: -526.899473 where: bonds (distance) C4'-P energy: -133.364 bonds (distance) P-C4' energy: -143.998 flat angles C4'-P-C4' energy: -122.853 flat angles P-C4'-P energy: -77.215 tors. eta vs tors. theta energy: -49.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3083.358686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.358686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.358686 (E_RNA) where: Base-Base interactions energy: -2211.386 where: short stacking energy: -916.840 Base-Backbone interact. energy: -3.112 local terms energy: -868.860550 where: bonds (distance) C4'-P energy: -154.155 bonds (distance) P-C4' energy: -163.019 flat angles C4'-P-C4' energy: -170.442 flat angles P-C4'-P energy: -122.024 tors. eta vs tors. theta energy: -259.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2990.151120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.151120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.151120 (E_RNA) where: Base-Base interactions energy: -2128.506 where: short stacking energy: -883.071 Base-Backbone interact. energy: 3.527 local terms energy: -865.172443 where: bonds (distance) C4'-P energy: -160.303 bonds (distance) P-C4' energy: -166.394 flat angles C4'-P-C4' energy: -181.770 flat angles P-C4'-P energy: -120.141 tors. eta vs tors. theta energy: -236.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2906.757102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.757102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.757102 (E_RNA) where: Base-Base interactions energy: -2106.879 where: short stacking energy: -883.676 Base-Backbone interact. energy: 0.304 local terms energy: -800.182325 where: bonds (distance) C4'-P energy: -170.890 bonds (distance) P-C4' energy: -124.041 flat angles C4'-P-C4' energy: -169.360 flat angles P-C4'-P energy: -99.330 tors. eta vs tors. theta energy: -236.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2728.801339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.801339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.801339 (E_RNA) where: Base-Base interactions energy: -1946.835 where: short stacking energy: -808.746 Base-Backbone interact. energy: -3.178 local terms energy: -778.788410 where: bonds (distance) C4'-P energy: -128.844 bonds (distance) P-C4' energy: -144.700 flat angles C4'-P-C4' energy: -177.219 flat angles P-C4'-P energy: -110.902 tors. eta vs tors. theta energy: -217.124 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: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2756.837011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.837011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.837011 (E_RNA) where: Base-Base interactions energy: -1983.997 where: short stacking energy: -842.904 Base-Backbone interact. energy: -3.273 local terms energy: -769.567648 where: bonds (distance) C4'-P energy: -137.601 bonds (distance) P-C4' energy: -140.109 flat angles C4'-P-C4' energy: -170.711 flat angles P-C4'-P energy: -106.225 tors. eta vs tors. theta energy: -214.922 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: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2469.730230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.730230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.730230 (E_RNA) where: Base-Base interactions energy: -1700.675 where: short stacking energy: -733.947 Base-Backbone interact. energy: -3.896 local terms energy: -765.158747 where: bonds (distance) C4'-P energy: -133.427 bonds (distance) P-C4' energy: -141.483 flat angles C4'-P-C4' energy: -167.011 flat angles P-C4'-P energy: -116.717 tors. eta vs tors. theta energy: -206.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2337.566349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.566349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.566349 (E_RNA) where: Base-Base interactions energy: -1636.684 where: short stacking energy: -685.301 Base-Backbone interact. energy: -4.500 local terms energy: -696.382231 where: bonds (distance) C4'-P energy: -116.666 bonds (distance) P-C4' energy: -142.082 flat angles C4'-P-C4' energy: -161.804 flat angles P-C4'-P energy: -96.402 tors. eta vs tors. theta energy: -179.429 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: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -2204.525831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.525831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.525831 (E_RNA) where: Base-Base interactions energy: -1543.781 where: short stacking energy: -661.233 Base-Backbone interact. energy: 0.048 local terms energy: -660.793228 where: bonds (distance) C4'-P energy: -139.878 bonds (distance) P-C4' energy: -138.397 flat angles C4'-P-C4' energy: -136.114 flat angles P-C4'-P energy: -80.965 tors. eta vs tors. theta energy: -165.439 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: 9, replica: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1923.910534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.910534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.910534 (E_RNA) where: Base-Base interactions energy: -1307.387 where: short stacking energy: -591.324 Base-Backbone interact. energy: -1.183 local terms energy: -615.340328 where: bonds (distance) C4'-P energy: -115.578 bonds (distance) P-C4' energy: -138.694 flat angles C4'-P-C4' energy: -141.157 flat angles P-C4'-P energy: -88.147 tors. eta vs tors. theta energy: -131.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1269.116558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.116558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.116558 (E_RNA) where: Base-Base interactions energy: -762.297 where: short stacking energy: -351.732 Base-Backbone interact. energy: 6.557 local terms energy: -513.376475 where: bonds (distance) C4'-P energy: -127.419 bonds (distance) P-C4' energy: -152.670 flat angles C4'-P-C4' energy: -130.260 flat angles P-C4'-P energy: -69.167 tors. eta vs tors. theta energy: -33.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3090.757598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.757598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.757598 (E_RNA) where: Base-Base interactions energy: -2200.559 where: short stacking energy: -912.578 Base-Backbone interact. energy: -6.764 local terms energy: -883.434265 where: bonds (distance) C4'-P energy: -155.788 bonds (distance) P-C4' energy: -149.784 flat angles C4'-P-C4' energy: -192.431 flat angles P-C4'-P energy: -122.325 tors. eta vs tors. theta energy: -263.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -3005.404002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.404002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.404002 (E_RNA) where: Base-Base interactions energy: -2155.948 where: short stacking energy: -888.486 Base-Backbone interact. energy: -6.639 local terms energy: -842.817137 where: bonds (distance) C4'-P energy: -157.904 bonds (distance) P-C4' energy: -163.422 flat angles C4'-P-C4' energy: -165.347 flat angles P-C4'-P energy: -117.453 tors. eta vs tors. theta energy: -238.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2907.389775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.389775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.389775 (E_RNA) where: Base-Base interactions energy: -2081.500 where: short stacking energy: -837.920 Base-Backbone interact. energy: -2.384 local terms energy: -823.504849 where: bonds (distance) C4'-P energy: -156.739 bonds (distance) P-C4' energy: -146.250 flat angles C4'-P-C4' energy: -173.568 flat angles P-C4'-P energy: -121.961 tors. eta vs tors. theta energy: -224.986 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: 10 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2744.753122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.753122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.753122 (E_RNA) where: Base-Base interactions energy: -1960.563 where: short stacking energy: -816.569 Base-Backbone interact. energy: -1.054 local terms energy: -783.136651 where: bonds (distance) C4'-P energy: -147.881 bonds (distance) P-C4' energy: -151.986 flat angles C4'-P-C4' energy: -158.469 flat angles P-C4'-P energy: -118.377 tors. eta vs tors. theta energy: -206.424 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: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2705.826916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.826916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.826916 (E_RNA) where: Base-Base interactions energy: -1958.746 where: short stacking energy: -808.200 Base-Backbone interact. energy: -3.163 local terms energy: -743.918856 where: bonds (distance) C4'-P energy: -120.171 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -165.376 flat angles P-C4'-P energy: -110.462 tors. eta vs tors. theta energy: -217.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2467.837432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.837432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.837432 (E_RNA) where: Base-Base interactions energy: -1684.063 where: short stacking energy: -749.580 Base-Backbone interact. energy: -4.244 local terms energy: -779.530942 where: bonds (distance) C4'-P energy: -145.649 bonds (distance) P-C4' energy: -149.836 flat angles C4'-P-C4' energy: -164.167 flat angles P-C4'-P energy: -113.200 tors. eta vs tors. theta energy: -206.680 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: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2422.097690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.097690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.097690 (E_RNA) where: Base-Base interactions energy: -1685.557 where: short stacking energy: -712.871 Base-Backbone interact. energy: -5.308 local terms energy: -731.232968 where: bonds (distance) C4'-P energy: -130.540 bonds (distance) P-C4' energy: -146.876 flat angles C4'-P-C4' energy: -160.579 flat angles P-C4'-P energy: -98.088 tors. eta vs tors. theta energy: -195.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -2228.218835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.218835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.218835 (E_RNA) where: Base-Base interactions energy: -1543.242 where: short stacking energy: -656.225 Base-Backbone interact. energy: 0.247 local terms energy: -685.224275 where: bonds (distance) C4'-P energy: -122.438 bonds (distance) P-C4' energy: -143.294 flat angles C4'-P-C4' energy: -154.988 flat angles P-C4'-P energy: -88.141 tors. eta vs tors. theta energy: -176.363 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: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1920.785663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.785663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.785663 (E_RNA) where: Base-Base interactions energy: -1324.587 where: short stacking energy: -582.517 Base-Backbone interact. energy: 0.115 local terms energy: -596.313145 where: bonds (distance) C4'-P energy: -116.276 bonds (distance) P-C4' energy: -125.719 flat angles C4'-P-C4' energy: -120.850 flat angles P-C4'-P energy: -92.330 tors. eta vs tors. theta energy: -141.139 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: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1228.250385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.250385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.250385 (E_RNA) where: Base-Base interactions energy: -780.770 where: short stacking energy: -400.518 Base-Backbone interact. energy: -3.614 local terms energy: -443.866445 where: bonds (distance) C4'-P energy: -126.027 bonds (distance) P-C4' energy: -120.911 flat angles C4'-P-C4' energy: -104.322 flat angles P-C4'-P energy: -54.275 tors. eta vs tors. theta energy: -38.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3108.188895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.188895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.188895 (E_RNA) where: Base-Base interactions energy: -2210.175 where: short stacking energy: -939.138 Base-Backbone interact. energy: -3.827 local terms energy: -894.187234 where: bonds (distance) C4'-P energy: -156.017 bonds (distance) P-C4' energy: -174.058 flat angles C4'-P-C4' energy: -181.825 flat angles P-C4'-P energy: -118.608 tors. eta vs tors. theta energy: -263.680 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: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3004.827005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.827005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.827005 (E_RNA) where: Base-Base interactions energy: -2150.809 where: short stacking energy: -891.956 Base-Backbone interact. energy: -6.857 local terms energy: -847.160764 where: bonds (distance) C4'-P energy: -159.370 bonds (distance) P-C4' energy: -163.535 flat angles C4'-P-C4' energy: -169.191 flat angles P-C4'-P energy: -109.931 tors. eta vs tors. theta energy: -245.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2931.479141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.479141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.479141 (E_RNA) where: Base-Base interactions energy: -2098.057 where: short stacking energy: -883.744 Base-Backbone interact. energy: -4.856 local terms energy: -828.566251 where: bonds (distance) C4'-P energy: -116.695 bonds (distance) P-C4' energy: -161.564 flat angles C4'-P-C4' energy: -194.538 flat angles P-C4'-P energy: -120.564 tors. eta vs tors. theta energy: -235.205 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: 10 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2728.424572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.424572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.424572 (E_RNA) where: Base-Base interactions energy: -1930.709 where: short stacking energy: -780.263 Base-Backbone interact. energy: -5.714 local terms energy: -792.001562 where: bonds (distance) C4'-P energy: -153.145 bonds (distance) P-C4' energy: -155.464 flat angles C4'-P-C4' energy: -159.560 flat angles P-C4'-P energy: -119.813 tors. eta vs tors. theta energy: -204.019 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: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2696.426505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.426505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.426505 (E_RNA) where: Base-Base interactions energy: -1941.642 where: short stacking energy: -778.131 Base-Backbone interact. energy: -2.128 local terms energy: -752.656623 where: bonds (distance) C4'-P energy: -130.912 bonds (distance) P-C4' energy: -132.746 flat angles C4'-P-C4' energy: -165.914 flat angles P-C4'-P energy: -116.447 tors. eta vs tors. theta energy: -206.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2514.953704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.953704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.953704 (E_RNA) where: Base-Base interactions energy: -1761.139 where: short stacking energy: -772.615 Base-Backbone interact. energy: -3.239 local terms energy: -750.575623 where: bonds (distance) C4'-P energy: -140.317 bonds (distance) P-C4' energy: -133.179 flat angles C4'-P-C4' energy: -164.609 flat angles P-C4'-P energy: -105.972 tors. eta vs tors. theta energy: -206.499 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2422.747403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.747403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.747403 (E_RNA) where: Base-Base interactions energy: -1704.004 where: short stacking energy: -731.959 Base-Backbone interact. energy: -1.899 local terms energy: -716.844685 where: bonds (distance) C4'-P energy: -125.323 bonds (distance) P-C4' energy: -136.113 flat angles C4'-P-C4' energy: -156.443 flat angles P-C4'-P energy: -101.428 tors. eta vs tors. theta energy: -197.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -2233.837206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.837206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.837206 (E_RNA) where: Base-Base interactions energy: -1555.497 where: short stacking energy: -657.742 Base-Backbone interact. energy: -3.371 local terms energy: -674.969057 where: bonds (distance) C4'-P energy: -126.268 bonds (distance) P-C4' energy: -138.028 flat angles C4'-P-C4' energy: -145.612 flat angles P-C4'-P energy: -105.677 tors. eta vs tors. theta energy: -159.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1983.329380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.329380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.329380 (E_RNA) where: Base-Base interactions energy: -1378.946 where: short stacking energy: -601.273 Base-Backbone interact. energy: -0.617 local terms energy: -603.766134 where: bonds (distance) C4'-P energy: -123.400 bonds (distance) P-C4' energy: -118.613 flat angles C4'-P-C4' energy: -141.537 flat angles P-C4'-P energy: -86.783 tors. eta vs tors. theta energy: -133.433 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: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1267.458648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.458648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.458648 (E_RNA) where: Base-Base interactions energy: -780.030 where: short stacking energy: -392.709 Base-Backbone interact. energy: 4.273 local terms energy: -491.702085 where: bonds (distance) C4'-P energy: -122.938 bonds (distance) P-C4' energy: -124.710 flat angles C4'-P-C4' energy: -118.272 flat angles P-C4'-P energy: -70.971 tors. eta vs tors. theta energy: -54.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3092.568704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.568704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.568704 (E_RNA) where: Base-Base interactions energy: -2198.622 where: short stacking energy: -907.843 Base-Backbone interact. energy: -2.367 local terms energy: -891.579595 where: bonds (distance) C4'-P energy: -170.202 bonds (distance) P-C4' energy: -156.054 flat angles C4'-P-C4' energy: -185.199 flat angles P-C4'-P energy: -119.961 tors. eta vs tors. theta energy: -260.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2961.970231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.970231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.970231 (E_RNA) where: Base-Base interactions energy: -2090.632 where: short stacking energy: -865.051 Base-Backbone interact. energy: -4.066 local terms energy: -867.271942 where: bonds (distance) C4'-P energy: -154.105 bonds (distance) P-C4' energy: -158.601 flat angles C4'-P-C4' energy: -185.553 flat angles P-C4'-P energy: -132.426 tors. eta vs tors. theta energy: -236.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2893.790013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.790013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.790013 (E_RNA) where: Base-Base interactions energy: -2072.375 where: short stacking energy: -827.754 Base-Backbone interact. energy: 1.784 local terms energy: -823.198813 where: bonds (distance) C4'-P energy: -149.408 bonds (distance) P-C4' energy: -155.272 flat angles C4'-P-C4' energy: -175.826 flat angles P-C4'-P energy: -112.283 tors. eta vs tors. theta energy: -230.410 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: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2749.342503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.342503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.342503 (E_RNA) where: Base-Base interactions energy: -1910.045 where: short stacking energy: -778.080 Base-Backbone interact. energy: -3.351 local terms energy: -835.946624 where: bonds (distance) C4'-P energy: -157.471 bonds (distance) P-C4' energy: -154.861 flat angles C4'-P-C4' energy: -185.420 flat angles P-C4'-P energy: -129.945 tors. eta vs tors. theta energy: -208.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2688.979446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.979446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.979446 (E_RNA) where: Base-Base interactions energy: -1934.383 where: short stacking energy: -793.149 Base-Backbone interact. energy: 3.302 local terms energy: -757.897921 where: bonds (distance) C4'-P energy: -137.051 bonds (distance) P-C4' energy: -141.243 flat angles C4'-P-C4' energy: -159.744 flat angles P-C4'-P energy: -112.256 tors. eta vs tors. theta energy: -207.604 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: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2492.607801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.607801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.607801 (E_RNA) where: Base-Base interactions energy: -1773.977 where: short stacking energy: -750.135 Base-Backbone interact. energy: -2.380 local terms energy: -716.250859 where: bonds (distance) C4'-P energy: -112.123 bonds (distance) P-C4' energy: -146.014 flat angles C4'-P-C4' energy: -162.251 flat angles P-C4'-P energy: -104.199 tors. eta vs tors. theta energy: -191.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2369.834212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.834212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.834212 (E_RNA) where: Base-Base interactions energy: -1665.765 where: short stacking energy: -724.588 Base-Backbone interact. energy: 1.376 local terms energy: -705.445651 where: bonds (distance) C4'-P energy: -117.114 bonds (distance) P-C4' energy: -137.056 flat angles C4'-P-C4' energy: -149.774 flat angles P-C4'-P energy: -104.482 tors. eta vs tors. theta energy: -197.019 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: 459 Temperature: 1.250000 Total energy: -2226.977312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.977312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.977312 (E_RNA) where: Base-Base interactions energy: -1566.169 where: short stacking energy: -674.819 Base-Backbone interact. energy: 2.469 local terms energy: -663.277153 where: bonds (distance) C4'-P energy: -114.524 bonds (distance) P-C4' energy: -135.557 flat angles C4'-P-C4' energy: -147.549 flat angles P-C4'-P energy: -97.814 tors. eta vs tors. theta energy: -167.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1838.549889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.549889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.549889 (E_RNA) where: Base-Base interactions energy: -1282.281 where: short stacking energy: -550.299 Base-Backbone interact. energy: 0.554 local terms energy: -556.822262 where: bonds (distance) C4'-P energy: -114.586 bonds (distance) P-C4' energy: -127.537 flat angles C4'-P-C4' energy: -121.904 flat angles P-C4'-P energy: -84.553 tors. eta vs tors. theta energy: -108.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1195.934889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.934889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.934889 (E_RNA) where: Base-Base interactions energy: -741.154 where: short stacking energy: -337.257 Base-Backbone interact. energy: -0.111 local terms energy: -454.669937 where: bonds (distance) C4'-P energy: -111.943 bonds (distance) P-C4' energy: -125.468 flat angles C4'-P-C4' energy: -115.390 flat angles P-C4'-P energy: -68.603 tors. eta vs tors. theta energy: -33.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3085.499884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.499884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.499884 (E_RNA) where: Base-Base interactions energy: -2210.163 where: short stacking energy: -924.603 Base-Backbone interact. energy: -2.766 local terms energy: -872.571290 where: bonds (distance) C4'-P energy: -160.808 bonds (distance) P-C4' energy: -156.529 flat angles C4'-P-C4' energy: -173.652 flat angles P-C4'-P energy: -122.023 tors. eta vs tors. theta energy: -259.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2978.685431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.685431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.685431 (E_RNA) where: Base-Base interactions energy: -2122.792 where: short stacking energy: -877.260 Base-Backbone interact. energy: -1.757 local terms energy: -854.136914 where: bonds (distance) C4'-P energy: -144.708 bonds (distance) P-C4' energy: -156.973 flat angles C4'-P-C4' energy: -195.223 flat angles P-C4'-P energy: -125.527 tors. eta vs tors. theta energy: -231.707 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: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2943.307678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.307678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.307678 (E_RNA) where: Base-Base interactions energy: -2140.202 where: short stacking energy: -859.845 Base-Backbone interact. energy: -4.465 local terms energy: -798.640060 where: bonds (distance) C4'-P energy: -144.321 bonds (distance) P-C4' energy: -152.177 flat angles C4'-P-C4' energy: -171.771 flat angles P-C4'-P energy: -113.186 tors. eta vs tors. theta energy: -217.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2734.642744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.642744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.642744 (E_RNA) where: Base-Base interactions energy: -1957.850 where: short stacking energy: -770.082 Base-Backbone interact. energy: -2.538 local terms energy: -774.255310 where: bonds (distance) C4'-P energy: -129.086 bonds (distance) P-C4' energy: -145.386 flat angles C4'-P-C4' energy: -173.857 flat angles P-C4'-P energy: -113.949 tors. eta vs tors. theta energy: -211.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2713.419871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.419871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.419871 (E_RNA) where: Base-Base interactions energy: -1930.247 where: short stacking energy: -815.933 Base-Backbone interact. energy: -0.053 local terms energy: -783.120669 where: bonds (distance) C4'-P energy: -155.838 bonds (distance) P-C4' energy: -131.840 flat angles C4'-P-C4' energy: -153.915 flat angles P-C4'-P energy: -121.839 tors. eta vs tors. theta energy: -219.689 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: 6, replica: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2487.081635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.081635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.081635 (E_RNA) where: Base-Base interactions energy: -1750.281 where: short stacking energy: -742.681 Base-Backbone interact. energy: -3.189 local terms energy: -733.611191 where: bonds (distance) C4'-P energy: -130.091 bonds (distance) P-C4' energy: -141.503 flat angles C4'-P-C4' energy: -165.711 flat angles P-C4'-P energy: -92.201 tors. eta vs tors. theta energy: -204.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2333.000966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.000966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.000966 (E_RNA) where: Base-Base interactions energy: -1658.924 where: short stacking energy: -693.806 Base-Backbone interact. energy: 5.661 local terms energy: -679.738319 where: bonds (distance) C4'-P energy: -127.796 bonds (distance) P-C4' energy: -130.234 flat angles C4'-P-C4' energy: -158.087 flat angles P-C4'-P energy: -86.103 tors. eta vs tors. theta energy: -177.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -2177.771849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.771849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.771849 (E_RNA) where: Base-Base interactions energy: -1503.873 where: short stacking energy: -662.654 Base-Backbone interact. energy: -3.261 local terms energy: -670.638165 where: bonds (distance) C4'-P energy: -139.295 bonds (distance) P-C4' energy: -142.559 flat angles C4'-P-C4' energy: -145.000 flat angles P-C4'-P energy: -90.004 tors. eta vs tors. theta energy: -153.780 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: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1984.862191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.862191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.862191 (E_RNA) where: Base-Base interactions energy: -1371.053 where: short stacking energy: -616.111 Base-Backbone interact. energy: -0.043 local terms energy: -613.765963 where: bonds (distance) C4'-P energy: -117.475 bonds (distance) P-C4' energy: -113.975 flat angles C4'-P-C4' energy: -134.282 flat angles P-C4'-P energy: -101.449 tors. eta vs tors. theta energy: -146.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1331.544887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.544887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.544887 (E_RNA) where: Base-Base interactions energy: -846.920 where: short stacking energy: -415.705 Base-Backbone interact. energy: 2.827 local terms energy: -487.451871 where: bonds (distance) C4'-P energy: -111.747 bonds (distance) P-C4' energy: -114.609 flat angles C4'-P-C4' energy: -122.974 flat angles P-C4'-P energy: -75.192 tors. eta vs tors. theta energy: -62.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3090.756712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.756712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.756712 (E_RNA) where: Base-Base interactions energy: -2213.801 where: short stacking energy: -906.846 Base-Backbone interact. energy: -2.767 local terms energy: -874.189545 where: bonds (distance) C4'-P energy: -148.797 bonds (distance) P-C4' energy: -163.415 flat angles C4'-P-C4' energy: -177.132 flat angles P-C4'-P energy: -129.013 tors. eta vs tors. theta energy: -255.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2991.611576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.611576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.611576 (E_RNA) where: Base-Base interactions energy: -2117.560 where: short stacking energy: -872.025 Base-Backbone interact. energy: -6.981 local terms energy: -867.070423 where: bonds (distance) C4'-P energy: -146.354 bonds (distance) P-C4' energy: -158.386 flat angles C4'-P-C4' energy: -188.627 flat angles P-C4'-P energy: -131.571 tors. eta vs tors. theta energy: -242.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2909.570972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.570972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.570972 (E_RNA) where: Base-Base interactions energy: -2102.583 where: short stacking energy: -871.538 Base-Backbone interact. energy: -4.194 local terms energy: -802.793764 where: bonds (distance) C4'-P energy: -135.980 bonds (distance) P-C4' energy: -138.437 flat angles C4'-P-C4' energy: -176.726 flat angles P-C4'-P energy: -126.444 tors. eta vs tors. theta energy: -225.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2821.698785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.698785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.698785 (E_RNA) where: Base-Base interactions energy: -2016.212 where: short stacking energy: -843.047 Base-Backbone interact. energy: -1.327 local terms energy: -804.160080 where: bonds (distance) C4'-P energy: -142.894 bonds (distance) P-C4' energy: -155.528 flat angles C4'-P-C4' energy: -167.468 flat angles P-C4'-P energy: -114.533 tors. eta vs tors. theta energy: -223.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2664.913737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.913737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.913737 (E_RNA) where: Base-Base interactions energy: -1876.184 where: short stacking energy: -736.915 Base-Backbone interact. energy: -5.666 local terms energy: -783.064376 where: bonds (distance) C4'-P energy: -149.078 bonds (distance) P-C4' energy: -153.229 flat angles C4'-P-C4' energy: -160.733 flat angles P-C4'-P energy: -123.674 tors. eta vs tors. theta energy: -196.351 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: 461 Temperature: 1.150000 Total energy: -2468.853523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.853523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.853523 (E_RNA) where: Base-Base interactions energy: -1688.807 where: short stacking energy: -740.874 Base-Backbone interact. energy: -2.898 local terms energy: -777.148070 where: bonds (distance) C4'-P energy: -153.491 bonds (distance) P-C4' energy: -147.786 flat angles C4'-P-C4' energy: -160.584 flat angles P-C4'-P energy: -109.292 tors. eta vs tors. theta energy: -205.995 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: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2322.716661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.716661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.716661 (E_RNA) where: Base-Base interactions energy: -1670.260 where: short stacking energy: -694.013 Base-Backbone interact. energy: -1.449 local terms energy: -651.007730 where: bonds (distance) C4'-P energy: -123.001 bonds (distance) P-C4' energy: -120.097 flat angles C4'-P-C4' energy: -142.280 flat angles P-C4'-P energy: -94.204 tors. eta vs tors. theta energy: -171.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -2191.848999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.848999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.848999 (E_RNA) where: Base-Base interactions energy: -1510.245 where: short stacking energy: -682.367 Base-Backbone interact. energy: -3.256 local terms energy: -678.348137 where: bonds (distance) C4'-P energy: -128.233 bonds (distance) P-C4' energy: -123.668 flat angles C4'-P-C4' energy: -159.646 flat angles P-C4'-P energy: -101.787 tors. eta vs tors. theta energy: -165.013 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: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1997.098042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.098042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.098042 (E_RNA) where: Base-Base interactions energy: -1386.063 where: short stacking energy: -575.492 Base-Backbone interact. energy: -0.398 local terms energy: -610.636681 where: bonds (distance) C4'-P energy: -138.124 bonds (distance) P-C4' energy: -135.168 flat angles C4'-P-C4' energy: -129.711 flat angles P-C4'-P energy: -68.740 tors. eta vs tors. theta energy: -138.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1426.666698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.666698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.666698 (E_RNA) where: Base-Base interactions energy: -928.942 where: short stacking energy: -423.823 Base-Backbone interact. energy: -1.529 local terms energy: -496.195962 where: bonds (distance) C4'-P energy: -105.557 bonds (distance) P-C4' energy: -133.851 flat angles C4'-P-C4' energy: -121.965 flat angles P-C4'-P energy: -79.285 tors. eta vs tors. theta energy: -55.537 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: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3104.546464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.546464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.546464 (E_RNA) where: Base-Base interactions energy: -2229.341 where: short stacking energy: -945.179 Base-Backbone interact. energy: -3.364 local terms energy: -871.841281 where: bonds (distance) C4'-P energy: -148.335 bonds (distance) P-C4' energy: -160.578 flat angles C4'-P-C4' energy: -181.505 flat angles P-C4'-P energy: -120.345 tors. eta vs tors. theta energy: -261.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2983.719941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.719941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.719941 (E_RNA) where: Base-Base interactions energy: -2134.560 where: short stacking energy: -879.908 Base-Backbone interact. energy: -5.691 local terms energy: -843.469443 where: bonds (distance) C4'-P energy: -149.413 bonds (distance) P-C4' energy: -148.552 flat angles C4'-P-C4' energy: -170.930 flat angles P-C4'-P energy: -121.526 tors. eta vs tors. theta energy: -253.049 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: 462 Temperature: 1.000000 Total energy: -2907.727805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.727805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.727805 (E_RNA) where: Base-Base interactions energy: -2083.101 where: short stacking energy: -864.883 Base-Backbone interact. energy: -2.256 local terms energy: -822.370497 where: bonds (distance) C4'-P energy: -151.446 bonds (distance) P-C4' energy: -158.400 flat angles C4'-P-C4' energy: -178.177 flat angles P-C4'-P energy: -111.174 tors. eta vs tors. theta energy: -223.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2759.648609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.648609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.648609 (E_RNA) where: Base-Base interactions energy: -1964.576 where: short stacking energy: -824.658 Base-Backbone interact. energy: 4.106 local terms energy: -799.179085 where: bonds (distance) C4'-P energy: -147.905 bonds (distance) P-C4' energy: -155.044 flat angles C4'-P-C4' energy: -167.406 flat angles P-C4'-P energy: -106.546 tors. eta vs tors. theta energy: -222.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2626.994167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.994167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.994167 (E_RNA) where: Base-Base interactions energy: -1866.792 where: short stacking energy: -763.713 Base-Backbone interact. energy: -0.208 local terms energy: -759.993841 where: bonds (distance) C4'-P energy: -138.619 bonds (distance) P-C4' energy: -145.980 flat angles C4'-P-C4' energy: -168.008 flat angles P-C4'-P energy: -107.846 tors. eta vs tors. theta energy: -199.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2504.060496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.060496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.060496 (E_RNA) where: Base-Base interactions energy: -1759.137 where: short stacking energy: -773.232 Base-Backbone interact. energy: -3.368 local terms energy: -741.555286 where: bonds (distance) C4'-P energy: -132.193 bonds (distance) P-C4' energy: -138.177 flat angles C4'-P-C4' energy: -165.873 flat angles P-C4'-P energy: -101.318 tors. eta vs tors. theta energy: -203.995 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: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2352.111083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.111083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.111083 (E_RNA) where: Base-Base interactions energy: -1635.617 where: short stacking energy: -700.267 Base-Backbone interact. energy: 4.048 local terms energy: -720.541870 where: bonds (distance) C4'-P energy: -125.673 bonds (distance) P-C4' energy: -134.790 flat angles C4'-P-C4' energy: -152.015 flat angles P-C4'-P energy: -107.742 tors. eta vs tors. theta energy: -200.322 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: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -2203.831150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.831150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.831150 (E_RNA) where: Base-Base interactions energy: -1528.802 where: short stacking energy: -654.851 Base-Backbone interact. energy: -2.580 local terms energy: -672.448792 where: bonds (distance) C4'-P energy: -118.906 bonds (distance) P-C4' energy: -141.204 flat angles C4'-P-C4' energy: -152.599 flat angles P-C4'-P energy: -90.535 tors. eta vs tors. theta energy: -169.204 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: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -2034.227396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.227396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.227396 (E_RNA) where: Base-Base interactions energy: -1416.559 where: short stacking energy: -644.958 Base-Backbone interact. energy: -2.821 local terms energy: -614.847181 where: bonds (distance) C4'-P energy: -126.554 bonds (distance) P-C4' energy: -115.631 flat angles C4'-P-C4' energy: -143.398 flat angles P-C4'-P energy: -79.568 tors. eta vs tors. theta energy: -149.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1335.579044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.579044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.579044 (E_RNA) where: Base-Base interactions energy: -873.973 where: short stacking energy: -409.594 Base-Backbone interact. energy: -0.489 local terms energy: -461.116948 where: bonds (distance) C4'-P energy: -122.676 bonds (distance) P-C4' energy: -120.397 flat angles C4'-P-C4' energy: -113.625 flat angles P-C4'-P energy: -49.299 tors. eta vs tors. theta energy: -55.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3102.490442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.490442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.490442 (E_RNA) where: Base-Base interactions energy: -2199.006 where: short stacking energy: -912.053 Base-Backbone interact. energy: -3.698 local terms energy: -899.786476 where: bonds (distance) C4'-P energy: -155.286 bonds (distance) P-C4' energy: -157.343 flat angles C4'-P-C4' energy: -187.638 flat angles P-C4'-P energy: -133.255 tors. eta vs tors. theta energy: -266.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2991.597310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.597310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.597310 (E_RNA) where: Base-Base interactions energy: -2140.864 where: short stacking energy: -889.039 Base-Backbone interact. energy: -5.666 local terms energy: -845.067638 where: bonds (distance) C4'-P energy: -151.794 bonds (distance) P-C4' energy: -149.777 flat angles C4'-P-C4' energy: -166.767 flat angles P-C4'-P energy: -126.981 tors. eta vs tors. theta energy: -249.749 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: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2907.563286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.563286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.563286 (E_RNA) where: Base-Base interactions energy: -2075.392 where: short stacking energy: -861.222 Base-Backbone interact. energy: -5.528 local terms energy: -826.643192 where: bonds (distance) C4'-P energy: -143.635 bonds (distance) P-C4' energy: -167.691 flat angles C4'-P-C4' energy: -179.578 flat angles P-C4'-P energy: -114.263 tors. eta vs tors. theta energy: -221.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2741.439200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.439200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.439200 (E_RNA) where: Base-Base interactions energy: -1936.060 where: short stacking energy: -800.808 Base-Backbone interact. energy: 0.723 local terms energy: -806.101553 where: bonds (distance) C4'-P energy: -155.233 bonds (distance) P-C4' energy: -144.086 flat angles C4'-P-C4' energy: -173.013 flat angles P-C4'-P energy: -127.710 tors. eta vs tors. theta energy: -206.060 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: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2622.323212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.323212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.323212 (E_RNA) where: Base-Base interactions energy: -1856.513 where: short stacking energy: -736.648 Base-Backbone interact. energy: 0.122 local terms energy: -765.932892 where: bonds (distance) C4'-P energy: -143.583 bonds (distance) P-C4' energy: -143.317 flat angles C4'-P-C4' energy: -169.155 flat angles P-C4'-P energy: -120.254 tors. eta vs tors. theta energy: -189.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2441.597105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.597105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.597105 (E_RNA) where: Base-Base interactions energy: -1698.408 where: short stacking energy: -719.081 Base-Backbone interact. energy: 3.927 local terms energy: -747.116402 where: bonds (distance) C4'-P energy: -127.846 bonds (distance) P-C4' energy: -129.289 flat angles C4'-P-C4' energy: -181.744 flat angles P-C4'-P energy: -108.884 tors. eta vs tors. theta energy: -199.353 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: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2303.292046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.292046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.292046 (E_RNA) where: Base-Base interactions energy: -1609.227 where: short stacking energy: -668.180 Base-Backbone interact. energy: 0.593 local terms energy: -694.657896 where: bonds (distance) C4'-P energy: -145.863 bonds (distance) P-C4' energy: -130.793 flat angles C4'-P-C4' energy: -156.182 flat angles P-C4'-P energy: -98.500 tors. eta vs tors. theta energy: -163.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -2199.156902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.156902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.156902 (E_RNA) where: Base-Base interactions energy: -1502.472 where: short stacking energy: -651.514 Base-Backbone interact. energy: -3.382 local terms energy: -693.302724 where: bonds (distance) C4'-P energy: -132.022 bonds (distance) P-C4' energy: -131.029 flat angles C4'-P-C4' energy: -155.855 flat angles P-C4'-P energy: -99.750 tors. eta vs tors. theta energy: -174.647 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: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -2019.814580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.814580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.814580 (E_RNA) where: Base-Base interactions energy: -1399.457 where: short stacking energy: -613.051 Base-Backbone interact. energy: 2.248 local terms energy: -622.605792 where: bonds (distance) C4'-P energy: -117.709 bonds (distance) P-C4' energy: -119.650 flat angles C4'-P-C4' energy: -143.951 flat angles P-C4'-P energy: -81.380 tors. eta vs tors. theta energy: -159.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1313.220145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.220145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.220145 (E_RNA) where: Base-Base interactions energy: -814.491 where: short stacking energy: -389.094 Base-Backbone interact. energy: -2.580 local terms energy: -496.149036 where: bonds (distance) C4'-P energy: -133.010 bonds (distance) P-C4' energy: -134.966 flat angles C4'-P-C4' energy: -126.256 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -42.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3098.047458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.047458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.047458 (E_RNA) where: Base-Base interactions energy: -2215.805 where: short stacking energy: -940.923 Base-Backbone interact. energy: -6.166 local terms energy: -876.075874 where: bonds (distance) C4'-P energy: -140.945 bonds (distance) P-C4' energy: -152.494 flat angles C4'-P-C4' energy: -187.967 flat angles P-C4'-P energy: -136.117 tors. eta vs tors. theta energy: -258.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2995.587883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.587883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.587883 (E_RNA) where: Base-Base interactions energy: -2144.100 where: short stacking energy: -914.206 Base-Backbone interact. energy: -5.521 local terms energy: -845.966747 where: bonds (distance) C4'-P energy: -155.264 bonds (distance) P-C4' energy: -154.452 flat angles C4'-P-C4' energy: -188.220 flat angles P-C4'-P energy: -109.837 tors. eta vs tors. theta energy: -238.194 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: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2917.697748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.697748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.697748 (E_RNA) where: Base-Base interactions energy: -2107.983 where: short stacking energy: -859.798 Base-Backbone interact. energy: -4.850 local terms energy: -804.864690 where: bonds (distance) C4'-P energy: -153.455 bonds (distance) P-C4' energy: -156.610 flat angles C4'-P-C4' energy: -157.392 flat angles P-C4'-P energy: -113.926 tors. eta vs tors. theta energy: -223.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2729.051581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.051581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.051581 (E_RNA) where: Base-Base interactions energy: -1943.941 where: short stacking energy: -820.597 Base-Backbone interact. energy: 2.759 local terms energy: -787.869086 where: bonds (distance) C4'-P energy: -142.918 bonds (distance) P-C4' energy: -141.237 flat angles C4'-P-C4' energy: -170.743 flat angles P-C4'-P energy: -124.410 tors. eta vs tors. theta energy: -208.561 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: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2606.751521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.751521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.751521 (E_RNA) where: Base-Base interactions energy: -1893.740 where: short stacking energy: -759.525 Base-Backbone interact. energy: -2.593 local terms energy: -710.419085 where: bonds (distance) C4'-P energy: -112.692 bonds (distance) P-C4' energy: -152.338 flat angles C4'-P-C4' energy: -159.793 flat angles P-C4'-P energy: -108.380 tors. eta vs tors. theta energy: -177.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2485.182689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.182689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.182689 (E_RNA) where: Base-Base interactions energy: -1741.238 where: short stacking energy: -762.227 Base-Backbone interact. energy: -4.672 local terms energy: -739.272880 where: bonds (distance) C4'-P energy: -130.914 bonds (distance) P-C4' energy: -138.746 flat angles C4'-P-C4' energy: -151.592 flat angles P-C4'-P energy: -110.647 tors. eta vs tors. theta energy: -207.374 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: 1 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2309.384945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.384945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.384945 (E_RNA) where: Base-Base interactions energy: -1615.788 where: short stacking energy: -721.227 Base-Backbone interact. energy: -0.389 local terms energy: -693.208541 where: bonds (distance) C4'-P energy: -145.777 bonds (distance) P-C4' energy: -136.236 flat angles C4'-P-C4' energy: -133.734 flat angles P-C4'-P energy: -92.609 tors. eta vs tors. theta energy: -184.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -2219.761739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.761739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.761739 (E_RNA) where: Base-Base interactions energy: -1567.880 where: short stacking energy: -676.706 Base-Backbone interact. energy: -2.365 local terms energy: -649.516595 where: bonds (distance) C4'-P energy: -101.594 bonds (distance) P-C4' energy: -122.211 flat angles C4'-P-C4' energy: -160.255 flat angles P-C4'-P energy: -83.827 tors. eta vs tors. theta energy: -181.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -2001.648053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.648053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.648053 (E_RNA) where: Base-Base interactions energy: -1390.924 where: short stacking energy: -613.654 Base-Backbone interact. energy: 1.310 local terms energy: -612.034117 where: bonds (distance) C4'-P energy: -126.633 bonds (distance) P-C4' energy: -128.625 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -76.282 tors. eta vs tors. theta energy: -144.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1293.270996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.270996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.270996 (E_RNA) where: Base-Base interactions energy: -801.669 where: short stacking energy: -378.359 Base-Backbone interact. energy: -0.431 local terms energy: -491.171066 where: bonds (distance) C4'-P energy: -127.439 bonds (distance) P-C4' energy: -130.720 flat angles C4'-P-C4' energy: -117.383 flat angles P-C4'-P energy: -75.246 tors. eta vs tors. theta energy: -40.383 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: 465 Temperature: 0.900000 Total energy: -3105.319996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.319996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.319996 (E_RNA) where: Base-Base interactions energy: -2225.766 where: short stacking energy: -947.997 Base-Backbone interact. energy: -5.111 local terms energy: -874.442653 where: bonds (distance) C4'-P energy: -147.744 bonds (distance) P-C4' energy: -156.407 flat angles C4'-P-C4' energy: -178.689 flat angles P-C4'-P energy: -128.728 tors. eta vs tors. theta energy: -262.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2986.939809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.939809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.939809 (E_RNA) where: Base-Base interactions energy: -2120.761 where: short stacking energy: -883.840 Base-Backbone interact. energy: -2.583 local terms energy: -863.596111 where: bonds (distance) C4'-P energy: -148.861 bonds (distance) P-C4' energy: -151.226 flat angles C4'-P-C4' energy: -199.270 flat angles P-C4'-P energy: -123.297 tors. eta vs tors. theta energy: -240.941 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: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2913.226185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.226185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.226185 (E_RNA) where: Base-Base interactions energy: -2096.204 where: short stacking energy: -860.827 Base-Backbone interact. energy: -0.270 local terms energy: -816.751455 where: bonds (distance) C4'-P energy: -148.916 bonds (distance) P-C4' energy: -154.975 flat angles C4'-P-C4' energy: -177.761 flat angles P-C4'-P energy: -119.445 tors. eta vs tors. theta energy: -215.654 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: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2790.269376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.269376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.269376 (E_RNA) where: Base-Base interactions energy: -1969.404 where: short stacking energy: -811.876 Base-Backbone interact. energy: -2.395 local terms energy: -818.470404 where: bonds (distance) C4'-P energy: -144.812 bonds (distance) P-C4' energy: -142.009 flat angles C4'-P-C4' energy: -187.380 flat angles P-C4'-P energy: -120.491 tors. eta vs tors. theta energy: -223.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2661.517799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.517799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.517799 (E_RNA) where: Base-Base interactions energy: -1927.593 where: short stacking energy: -791.110 Base-Backbone interact. energy: -13.271 local terms energy: -720.653725 where: bonds (distance) C4'-P energy: -138.684 bonds (distance) P-C4' energy: -136.502 flat angles C4'-P-C4' energy: -152.728 flat angles P-C4'-P energy: -99.069 tors. eta vs tors. theta energy: -193.671 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: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2482.484076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.484076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.484076 (E_RNA) where: Base-Base interactions energy: -1738.104 where: short stacking energy: -745.438 Base-Backbone interact. energy: -0.175 local terms energy: -744.204508 where: bonds (distance) C4'-P energy: -143.546 bonds (distance) P-C4' energy: -141.354 flat angles C4'-P-C4' energy: -149.332 flat angles P-C4'-P energy: -107.769 tors. eta vs tors. theta energy: -202.204 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: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2328.634249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.634249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.634249 (E_RNA) where: Base-Base interactions energy: -1643.476 where: short stacking energy: -704.058 Base-Backbone interact. energy: 3.324 local terms energy: -688.482637 where: bonds (distance) C4'-P energy: -115.027 bonds (distance) P-C4' energy: -130.180 flat angles C4'-P-C4' energy: -167.917 flat angles P-C4'-P energy: -93.561 tors. eta vs tors. theta energy: -181.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -2204.780961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.780961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.780961 (E_RNA) where: Base-Base interactions energy: -1547.352 where: short stacking energy: -681.009 Base-Backbone interact. energy: -1.173 local terms energy: -656.255903 where: bonds (distance) C4'-P energy: -127.717 bonds (distance) P-C4' energy: -141.113 flat angles C4'-P-C4' energy: -146.236 flat angles P-C4'-P energy: -74.283 tors. eta vs tors. theta energy: -166.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -2017.398701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.398701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.398701 (E_RNA) where: Base-Base interactions energy: -1385.582 where: short stacking energy: -584.250 Base-Backbone interact. energy: 3.249 local terms energy: -635.065099 where: bonds (distance) C4'-P energy: -116.039 bonds (distance) P-C4' energy: -133.772 flat angles C4'-P-C4' energy: -137.594 flat angles P-C4'-P energy: -95.942 tors. eta vs tors. theta energy: -151.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1299.178580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.178580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.178580 (E_RNA) where: Base-Base interactions energy: -789.351 where: short stacking energy: -393.319 Base-Backbone interact. energy: 1.009 local terms energy: -510.836352 where: bonds (distance) C4'-P energy: -137.049 bonds (distance) P-C4' energy: -133.978 flat angles C4'-P-C4' energy: -112.548 flat angles P-C4'-P energy: -77.210 tors. eta vs tors. theta energy: -50.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3105.965531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.965531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.965531 (E_RNA) where: Base-Base interactions energy: -2226.047 where: short stacking energy: -922.769 Base-Backbone interact. energy: -3.823 local terms energy: -876.095812 where: bonds (distance) C4'-P energy: -167.635 bonds (distance) P-C4' energy: -152.894 flat angles C4'-P-C4' energy: -178.529 flat angles P-C4'-P energy: -118.013 tors. eta vs tors. theta energy: -259.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2976.625166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.625166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.625166 (E_RNA) where: Base-Base interactions energy: -2100.065 where: short stacking energy: -864.939 Base-Backbone interact. energy: -2.543 local terms energy: -874.017866 where: bonds (distance) C4'-P energy: -154.649 bonds (distance) P-C4' energy: -168.598 flat angles C4'-P-C4' energy: -196.503 flat angles P-C4'-P energy: -119.772 tors. eta vs tors. theta energy: -234.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2873.687970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.687970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.687970 (E_RNA) where: Base-Base interactions energy: -2078.232 where: short stacking energy: -860.942 Base-Backbone interact. energy: -1.059 local terms energy: -794.396093 where: bonds (distance) C4'-P energy: -132.892 bonds (distance) P-C4' energy: -158.635 flat angles C4'-P-C4' energy: -174.705 flat angles P-C4'-P energy: -114.291 tors. eta vs tors. theta energy: -213.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2771.000403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.000403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.000403 (E_RNA) where: Base-Base interactions energy: -2000.752 where: short stacking energy: -825.075 Base-Backbone interact. energy: 3.497 local terms energy: -773.745135 where: bonds (distance) C4'-P energy: -144.092 bonds (distance) P-C4' energy: -137.609 flat angles C4'-P-C4' energy: -160.027 flat angles P-C4'-P energy: -115.460 tors. eta vs tors. theta energy: -216.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2691.561580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.561580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.561580 (E_RNA) where: Base-Base interactions energy: -1921.562 where: short stacking energy: -766.692 Base-Backbone interact. energy: -3.635 local terms energy: -766.364382 where: bonds (distance) C4'-P energy: -150.574 bonds (distance) P-C4' energy: -149.057 flat angles C4'-P-C4' energy: -154.951 flat angles P-C4'-P energy: -105.599 tors. eta vs tors. theta energy: -206.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2536.430981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.430981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.430981 (E_RNA) where: Base-Base interactions energy: -1773.170 where: short stacking energy: -782.900 Base-Backbone interact. energy: -2.814 local terms energy: -760.447033 where: bonds (distance) C4'-P energy: -136.395 bonds (distance) P-C4' energy: -157.295 flat angles C4'-P-C4' energy: -166.396 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -214.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2370.550786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.550786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.550786 (E_RNA) where: Base-Base interactions energy: -1654.902 where: short stacking energy: -733.086 Base-Backbone interact. energy: -2.517 local terms energy: -713.131509 where: bonds (distance) C4'-P energy: -129.288 bonds (distance) P-C4' energy: -126.613 flat angles C4'-P-C4' energy: -151.532 flat angles P-C4'-P energy: -107.429 tors. eta vs tors. theta energy: -198.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -2218.417076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.417076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.417076 (E_RNA) where: Base-Base interactions energy: -1561.025 where: short stacking energy: -662.173 Base-Backbone interact. energy: -2.996 local terms energy: -654.396244 where: bonds (distance) C4'-P energy: -132.863 bonds (distance) P-C4' energy: -137.064 flat angles C4'-P-C4' energy: -142.048 flat angles P-C4'-P energy: -88.079 tors. eta vs tors. theta energy: -154.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1983.801324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.801324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.801324 (E_RNA) where: Base-Base interactions energy: -1356.538 where: short stacking energy: -611.044 Base-Backbone interact. energy: -1.855 local terms energy: -625.408797 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -112.885 flat angles C4'-P-C4' energy: -140.312 flat angles P-C4'-P energy: -83.559 tors. eta vs tors. theta energy: -159.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1269.331668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.331668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.331668 (E_RNA) where: Base-Base interactions energy: -791.788 where: short stacking energy: -376.763 Base-Backbone interact. energy: -1.400 local terms energy: -476.143586 where: bonds (distance) C4'-P energy: -103.665 bonds (distance) P-C4' energy: -120.161 flat angles C4'-P-C4' energy: -134.944 flat angles P-C4'-P energy: -78.002 tors. eta vs tors. theta energy: -39.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3104.349611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.349611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.349611 (E_RNA) where: Base-Base interactions energy: -2219.501 where: short stacking energy: -926.450 Base-Backbone interact. energy: -0.243 local terms energy: -884.606502 where: bonds (distance) C4'-P energy: -166.065 bonds (distance) P-C4' energy: -140.781 flat angles C4'-P-C4' energy: -184.296 flat angles P-C4'-P energy: -127.809 tors. eta vs tors. theta energy: -265.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2949.072126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.072126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.072126 (E_RNA) where: Base-Base interactions energy: -2067.725 where: short stacking energy: -833.944 Base-Backbone interact. energy: -3.845 local terms energy: -877.502034 where: bonds (distance) C4'-P energy: -157.466 bonds (distance) P-C4' energy: -174.069 flat angles C4'-P-C4' energy: -187.449 flat angles P-C4'-P energy: -127.780 tors. eta vs tors. theta energy: -230.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2851.325417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.325417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.325417 (E_RNA) where: Base-Base interactions energy: -2078.409 where: short stacking energy: -837.281 Base-Backbone interact. energy: -3.525 local terms energy: -769.391581 where: bonds (distance) C4'-P energy: -145.662 bonds (distance) P-C4' energy: -152.043 flat angles C4'-P-C4' energy: -169.173 flat angles P-C4'-P energy: -100.364 tors. eta vs tors. theta energy: -202.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2808.060277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.060277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.060277 (E_RNA) where: Base-Base interactions energy: -1995.991 where: short stacking energy: -833.298 Base-Backbone interact. energy: 1.508 local terms energy: -813.577456 where: bonds (distance) C4'-P energy: -157.210 bonds (distance) P-C4' energy: -162.893 flat angles C4'-P-C4' energy: -162.518 flat angles P-C4'-P energy: -112.482 tors. eta vs tors. theta energy: -218.474 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: 10 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2656.296313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.296313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.296313 (E_RNA) where: Base-Base interactions energy: -1879.440 where: short stacking energy: -792.737 Base-Backbone interact. energy: -2.350 local terms energy: -774.506204 where: bonds (distance) C4'-P energy: -137.288 bonds (distance) P-C4' energy: -161.827 flat angles C4'-P-C4' energy: -166.236 flat angles P-C4'-P energy: -108.619 tors. eta vs tors. theta energy: -200.536 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: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2496.445134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.445134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.445134 (E_RNA) where: Base-Base interactions energy: -1732.016 where: short stacking energy: -761.059 Base-Backbone interact. energy: 0.375 local terms energy: -764.804493 where: bonds (distance) C4'-P energy: -139.306 bonds (distance) P-C4' energy: -154.912 flat angles C4'-P-C4' energy: -165.087 flat angles P-C4'-P energy: -91.910 tors. eta vs tors. theta energy: -213.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2310.386159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.386159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.386159 (E_RNA) where: Base-Base interactions energy: -1619.580 where: short stacking energy: -703.607 Base-Backbone interact. energy: -2.093 local terms energy: -688.713559 where: bonds (distance) C4'-P energy: -131.218 bonds (distance) P-C4' energy: -128.962 flat angles C4'-P-C4' energy: -146.922 flat angles P-C4'-P energy: -111.334 tors. eta vs tors. theta energy: -170.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -2208.060849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.060849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.060849 (E_RNA) where: Base-Base interactions energy: -1556.264 where: short stacking energy: -647.151 Base-Backbone interact. energy: 2.420 local terms energy: -654.216574 where: bonds (distance) C4'-P energy: -129.131 bonds (distance) P-C4' energy: -130.960 flat angles C4'-P-C4' energy: -150.279 flat angles P-C4'-P energy: -88.301 tors. eta vs tors. theta energy: -155.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -2018.913582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.913582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.913582 (E_RNA) where: Base-Base interactions energy: -1411.528 where: short stacking energy: -598.472 Base-Backbone interact. energy: 0.722 local terms energy: -608.107367 where: bonds (distance) C4'-P energy: -115.828 bonds (distance) P-C4' energy: -136.811 flat angles C4'-P-C4' energy: -142.233 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -135.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1351.143691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.143691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.143691 (E_RNA) where: Base-Base interactions energy: -821.644 where: short stacking energy: -378.436 Base-Backbone interact. energy: -0.662 local terms energy: -528.837885 where: bonds (distance) C4'-P energy: -90.637 bonds (distance) P-C4' energy: -137.439 flat angles C4'-P-C4' energy: -146.275 flat angles P-C4'-P energy: -97.412 tors. eta vs tors. theta energy: -57.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3090.202522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.202522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.202522 (E_RNA) where: Base-Base interactions energy: -2221.078 where: short stacking energy: -926.071 Base-Backbone interact. energy: -3.720 local terms energy: -865.404518 where: bonds (distance) C4'-P energy: -139.298 bonds (distance) P-C4' energy: -151.072 flat angles C4'-P-C4' energy: -184.776 flat angles P-C4'-P energy: -130.048 tors. eta vs tors. theta energy: -260.211 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: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2953.823358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.823358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.823358 (E_RNA) where: Base-Base interactions energy: -2083.792 where: short stacking energy: -855.524 Base-Backbone interact. energy: -1.653 local terms energy: -868.378317 where: bonds (distance) C4'-P energy: -150.220 bonds (distance) P-C4' energy: -169.621 flat angles C4'-P-C4' energy: -186.590 flat angles P-C4'-P energy: -124.807 tors. eta vs tors. theta energy: -237.141 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: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2858.906413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.906413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.906413 (E_RNA) where: Base-Base interactions energy: -2036.906 where: short stacking energy: -830.844 Base-Backbone interact. energy: -3.825 local terms energy: -818.175820 where: bonds (distance) C4'-P energy: -142.971 bonds (distance) P-C4' energy: -145.061 flat angles C4'-P-C4' energy: -178.228 flat angles P-C4'-P energy: -125.185 tors. eta vs tors. theta energy: -226.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2761.096793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.096793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.096793 (E_RNA) where: Base-Base interactions energy: -1996.848 where: short stacking energy: -812.395 Base-Backbone interact. energy: 0.376 local terms energy: -764.624508 where: bonds (distance) C4'-P energy: -144.800 bonds (distance) P-C4' energy: -140.378 flat angles C4'-P-C4' energy: -170.607 flat angles P-C4'-P energy: -105.333 tors. eta vs tors. theta energy: -203.507 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: 468 Temperature: 1.100000 Total energy: -2611.889533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.889533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.889533 (E_RNA) where: Base-Base interactions energy: -1850.879 where: short stacking energy: -784.146 Base-Backbone interact. energy: -3.472 local terms energy: -757.537665 where: bonds (distance) C4'-P energy: -131.443 bonds (distance) P-C4' energy: -145.230 flat angles C4'-P-C4' energy: -171.464 flat angles P-C4'-P energy: -120.403 tors. eta vs tors. theta energy: -188.998 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: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2544.080040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.080040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.080040 (E_RNA) where: Base-Base interactions energy: -1789.203 where: short stacking energy: -767.620 Base-Backbone interact. energy: -0.582 local terms energy: -754.295582 where: bonds (distance) C4'-P energy: -132.270 bonds (distance) P-C4' energy: -152.663 flat angles C4'-P-C4' energy: -147.286 flat angles P-C4'-P energy: -106.554 tors. eta vs tors. theta energy: -215.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2323.053818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.053818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.053818 (E_RNA) where: Base-Base interactions energy: -1620.187 where: short stacking energy: -717.173 Base-Backbone interact. energy: -0.008 local terms energy: -702.859062 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -144.209 flat angles C4'-P-C4' energy: -141.658 flat angles P-C4'-P energy: -113.540 tors. eta vs tors. theta energy: -180.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -2279.694576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.694576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.694576 (E_RNA) where: Base-Base interactions energy: -1580.663 where: short stacking energy: -683.663 Base-Backbone interact. energy: 1.332 local terms energy: -700.364141 where: bonds (distance) C4'-P energy: -134.990 bonds (distance) P-C4' energy: -133.196 flat angles C4'-P-C4' energy: -152.505 flat angles P-C4'-P energy: -93.614 tors. eta vs tors. theta energy: -186.059 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: 9, replica: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1978.313988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.313988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.313988 (E_RNA) where: Base-Base interactions energy: -1341.435 where: short stacking energy: -573.640 Base-Backbone interact. energy: 2.273 local terms energy: -639.152528 where: bonds (distance) C4'-P energy: -135.211 bonds (distance) P-C4' energy: -146.537 flat angles C4'-P-C4' energy: -125.673 flat angles P-C4'-P energy: -94.811 tors. eta vs tors. theta energy: -136.920 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: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1354.913978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.913978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.913978 (E_RNA) where: Base-Base interactions energy: -873.986 where: short stacking energy: -430.270 Base-Backbone interact. energy: 6.679 local terms energy: -487.606576 where: bonds (distance) C4'-P energy: -120.891 bonds (distance) P-C4' energy: -114.876 flat angles C4'-P-C4' energy: -114.458 flat angles P-C4'-P energy: -82.238 tors. eta vs tors. theta energy: -55.143 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: 469 Temperature: 0.900000 Total energy: -3092.048491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.048491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.048491 (E_RNA) where: Base-Base interactions energy: -2200.323 where: short stacking energy: -943.499 Base-Backbone interact. energy: -1.758 local terms energy: -889.967881 where: bonds (distance) C4'-P energy: -155.315 bonds (distance) P-C4' energy: -163.018 flat angles C4'-P-C4' energy: -189.252 flat angles P-C4'-P energy: -129.932 tors. eta vs tors. theta energy: -252.451 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: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -3007.479152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.479152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.479152 (E_RNA) where: Base-Base interactions energy: -2134.704 where: short stacking energy: -892.777 Base-Backbone interact. energy: -8.042 local terms energy: -864.733172 where: bonds (distance) C4'-P energy: -145.470 bonds (distance) P-C4' energy: -165.062 flat angles C4'-P-C4' energy: -189.959 flat angles P-C4'-P energy: -119.325 tors. eta vs tors. theta energy: -244.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2865.042671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.042671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.042671 (E_RNA) where: Base-Base interactions energy: -2024.706 where: short stacking energy: -859.534 Base-Backbone interact. energy: -4.148 local terms energy: -836.188900 where: bonds (distance) C4'-P energy: -134.489 bonds (distance) P-C4' energy: -165.216 flat angles C4'-P-C4' energy: -182.224 flat angles P-C4'-P energy: -117.386 tors. eta vs tors. theta energy: -236.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2768.787538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.787538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.787538 (E_RNA) where: Base-Base interactions energy: -1975.772 where: short stacking energy: -808.052 Base-Backbone interact. energy: -6.921 local terms energy: -786.094697 where: bonds (distance) C4'-P energy: -128.368 bonds (distance) P-C4' energy: -149.477 flat angles C4'-P-C4' energy: -170.867 flat angles P-C4'-P energy: -128.387 tors. eta vs tors. theta energy: -208.995 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: 10 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2646.895357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.895357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.895357 (E_RNA) where: Base-Base interactions energy: -1902.239 where: short stacking energy: -782.219 Base-Backbone interact. energy: -3.538 local terms energy: -741.119136 where: bonds (distance) C4'-P energy: -120.626 bonds (distance) P-C4' energy: -140.864 flat angles C4'-P-C4' energy: -164.392 flat angles P-C4'-P energy: -105.292 tors. eta vs tors. theta energy: -209.946 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: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2434.034229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.034229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.034229 (E_RNA) where: Base-Base interactions energy: -1701.977 where: short stacking energy: -721.057 Base-Backbone interact. energy: -2.874 local terms energy: -729.182673 where: bonds (distance) C4'-P energy: -131.622 bonds (distance) P-C4' energy: -140.030 flat angles C4'-P-C4' energy: -154.161 flat angles P-C4'-P energy: -117.291 tors. eta vs tors. theta energy: -186.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2402.797229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.797229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.797229 (E_RNA) where: Base-Base interactions energy: -1673.921 where: short stacking energy: -717.543 Base-Backbone interact. energy: -1.719 local terms energy: -727.157756 where: bonds (distance) C4'-P energy: -138.562 bonds (distance) P-C4' energy: -152.176 flat angles C4'-P-C4' energy: -165.044 flat angles P-C4'-P energy: -87.619 tors. eta vs tors. theta energy: -183.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -2272.730966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.730966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.730966 (E_RNA) where: Base-Base interactions energy: -1631.227 where: short stacking energy: -691.240 Base-Backbone interact. energy: 0.445 local terms energy: -641.948891 where: bonds (distance) C4'-P energy: -120.188 bonds (distance) P-C4' energy: -116.946 flat angles C4'-P-C4' energy: -128.139 flat angles P-C4'-P energy: -97.244 tors. eta vs tors. theta energy: -179.431 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: 8 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1930.779442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.779442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.779442 (E_RNA) where: Base-Base interactions energy: -1309.024 where: short stacking energy: -602.199 Base-Backbone interact. energy: 0.223 local terms energy: -621.978188 where: bonds (distance) C4'-P energy: -128.710 bonds (distance) P-C4' energy: -135.279 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -87.303 tors. eta vs tors. theta energy: -133.544 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: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1457.942906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.942906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.942906 (E_RNA) where: Base-Base interactions energy: -966.315 where: short stacking energy: -447.923 Base-Backbone interact. energy: 4.287 local terms energy: -495.915277 where: bonds (distance) C4'-P energy: -143.370 bonds (distance) P-C4' energy: -123.093 flat angles C4'-P-C4' energy: -114.335 flat angles P-C4'-P energy: -63.742 tors. eta vs tors. theta energy: -51.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3053.654825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.654825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.654825 (E_RNA) where: Base-Base interactions energy: -2174.570 where: short stacking energy: -897.104 Base-Backbone interact. energy: -3.451 local terms energy: -875.633783 where: bonds (distance) C4'-P energy: -145.656 bonds (distance) P-C4' energy: -167.202 flat angles C4'-P-C4' energy: -191.768 flat angles P-C4'-P energy: -124.378 tors. eta vs tors. theta energy: -246.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -3055.106457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.106457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.106457 (E_RNA) where: Base-Base interactions energy: -2165.442 where: short stacking energy: -905.309 Base-Backbone interact. energy: -5.879 local terms energy: -883.784858 where: bonds (distance) C4'-P energy: -155.033 bonds (distance) P-C4' energy: -155.757 flat angles C4'-P-C4' energy: -189.725 flat angles P-C4'-P energy: -123.355 tors. eta vs tors. theta energy: -259.915 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: 470 Temperature: 1.000000 Total energy: -2828.192963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.192963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.192963 (E_RNA) where: Base-Base interactions energy: -2034.081 where: short stacking energy: -837.497 Base-Backbone interact. energy: -6.744 local terms energy: -787.367890 where: bonds (distance) C4'-P energy: -134.741 bonds (distance) P-C4' energy: -153.084 flat angles C4'-P-C4' energy: -178.437 flat angles P-C4'-P energy: -111.797 tors. eta vs tors. theta energy: -209.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2793.626854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.626854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.626854 (E_RNA) where: Base-Base interactions energy: -1982.308 where: short stacking energy: -831.307 Base-Backbone interact. energy: -0.657 local terms energy: -810.661700 where: bonds (distance) C4'-P energy: -161.589 bonds (distance) P-C4' energy: -142.120 flat angles C4'-P-C4' energy: -178.882 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -215.487 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: 7 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2548.306634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.306634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.306634 (E_RNA) where: Base-Base interactions energy: -1774.406 where: short stacking energy: -771.181 Base-Backbone interact. energy: -2.724 local terms energy: -771.177065 where: bonds (distance) C4'-P energy: -143.753 bonds (distance) P-C4' energy: -138.489 flat angles C4'-P-C4' energy: -168.113 flat angles P-C4'-P energy: -105.983 tors. eta vs tors. theta energy: -214.839 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: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2583.021161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.021161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.021161 (E_RNA) where: Base-Base interactions energy: -1837.632 where: short stacking energy: -766.075 Base-Backbone interact. energy: 2.948 local terms energy: -748.337368 where: bonds (distance) C4'-P energy: -136.626 bonds (distance) P-C4' energy: -133.472 flat angles C4'-P-C4' energy: -167.073 flat angles P-C4'-P energy: -118.423 tors. eta vs tors. theta energy: -192.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2355.284023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.284023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.284023 (E_RNA) where: Base-Base interactions energy: -1624.793 where: short stacking energy: -722.345 Base-Backbone interact. energy: -0.836 local terms energy: -729.654795 where: bonds (distance) C4'-P energy: -144.078 bonds (distance) P-C4' energy: -108.123 flat angles C4'-P-C4' energy: -163.755 flat angles P-C4'-P energy: -110.097 tors. eta vs tors. theta energy: -203.601 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: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -2221.781075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.781075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.781075 (E_RNA) where: Base-Base interactions energy: -1562.534 where: short stacking energy: -661.988 Base-Backbone interact. energy: -2.421 local terms energy: -656.825810 where: bonds (distance) C4'-P energy: -135.400 bonds (distance) P-C4' energy: -130.225 flat angles C4'-P-C4' energy: -129.585 flat angles P-C4'-P energy: -98.429 tors. eta vs tors. theta energy: -163.188 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: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -2018.288133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.288133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.288133 (E_RNA) where: Base-Base interactions energy: -1380.114 where: short stacking energy: -626.581 Base-Backbone interact. energy: 3.234 local terms energy: -641.408088 where: bonds (distance) C4'-P energy: -122.661 bonds (distance) P-C4' energy: -128.147 flat angles C4'-P-C4' energy: -124.347 flat angles P-C4'-P energy: -102.668 tors. eta vs tors. theta energy: -163.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1397.622337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.622337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.622337 (E_RNA) where: Base-Base interactions energy: -906.389 where: short stacking energy: -416.101 Base-Backbone interact. energy: 2.353 local terms energy: -493.585927 where: bonds (distance) C4'-P energy: -123.137 bonds (distance) P-C4' energy: -123.155 flat angles C4'-P-C4' energy: -113.978 flat angles P-C4'-P energy: -81.809 tors. eta vs tors. theta energy: -51.508 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: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3071.091476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.091476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.091476 (E_RNA) where: Base-Base interactions energy: -2153.646 where: short stacking energy: -918.926 Base-Backbone interact. energy: -2.152 local terms energy: -915.293443 where: bonds (distance) C4'-P energy: -164.560 bonds (distance) P-C4' energy: -170.569 flat angles C4'-P-C4' energy: -192.625 flat angles P-C4'-P energy: -136.056 tors. eta vs tors. theta energy: -251.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3070.894292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.894292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.894292 (E_RNA) where: Base-Base interactions energy: -2197.982 where: short stacking energy: -935.068 Base-Backbone interact. energy: -3.913 local terms energy: -868.999045 where: bonds (distance) C4'-P energy: -139.172 bonds (distance) P-C4' energy: -156.657 flat angles C4'-P-C4' energy: -186.471 flat angles P-C4'-P energy: -123.804 tors. eta vs tors. theta energy: -262.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2856.528470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.528470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.528470 (E_RNA) where: Base-Base interactions energy: -2063.492 where: short stacking energy: -864.610 Base-Backbone interact. energy: -0.591 local terms energy: -792.445731 where: bonds (distance) C4'-P energy: -143.068 bonds (distance) P-C4' energy: -145.381 flat angles C4'-P-C4' energy: -176.983 flat angles P-C4'-P energy: -106.561 tors. eta vs tors. theta energy: -220.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2799.743246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.743246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.743246 (E_RNA) where: Base-Base interactions energy: -1999.556 where: short stacking energy: -840.580 Base-Backbone interact. energy: -0.046 local terms energy: -800.140951 where: bonds (distance) C4'-P energy: -160.889 bonds (distance) P-C4' energy: -160.607 flat angles C4'-P-C4' energy: -160.411 flat angles P-C4'-P energy: -94.568 tors. eta vs tors. theta energy: -223.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2501.241368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.241368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.241368 (E_RNA) where: Base-Base interactions energy: -1762.767 where: short stacking energy: -769.779 Base-Backbone interact. energy: -1.132 local terms energy: -737.341996 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -139.408 flat angles C4'-P-C4' energy: -149.884 flat angles P-C4'-P energy: -101.647 tors. eta vs tors. theta energy: -196.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2534.645177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.645177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.645177 (E_RNA) where: Base-Base interactions energy: -1824.674 where: short stacking energy: -750.933 Base-Backbone interact. energy: 0.466 local terms energy: -710.437736 where: bonds (distance) C4'-P energy: -119.394 bonds (distance) P-C4' energy: -134.189 flat angles C4'-P-C4' energy: -156.157 flat angles P-C4'-P energy: -103.855 tors. eta vs tors. theta energy: -196.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2437.702848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.702848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.702848 (E_RNA) where: Base-Base interactions energy: -1720.062 where: short stacking energy: -735.474 Base-Backbone interact. energy: -0.521 local terms energy: -717.119779 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -139.319 flat angles C4'-P-C4' energy: -158.963 flat angles P-C4'-P energy: -91.330 tors. eta vs tors. theta energy: -207.067 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: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -2232.220741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.220741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.220741 (E_RNA) where: Base-Base interactions energy: -1569.146 where: short stacking energy: -663.181 Base-Backbone interact. energy: 0.406 local terms energy: -663.480712 where: bonds (distance) C4'-P energy: -117.406 bonds (distance) P-C4' energy: -144.910 flat angles C4'-P-C4' energy: -164.490 flat angles P-C4'-P energy: -78.025 tors. eta vs tors. theta energy: -158.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -2002.531157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.531157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.531157 (E_RNA) where: Base-Base interactions energy: -1342.891 where: short stacking energy: -605.146 Base-Backbone interact. energy: -2.967 local terms energy: -656.673569 where: bonds (distance) C4'-P energy: -126.386 bonds (distance) P-C4' energy: -124.553 flat angles C4'-P-C4' energy: -151.429 flat angles P-C4'-P energy: -109.637 tors. eta vs tors. theta energy: -144.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1338.185856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.185856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.185856 (E_RNA) where: Base-Base interactions energy: -858.173 where: short stacking energy: -405.586 Base-Backbone interact. energy: 2.952 local terms energy: -482.965076 where: bonds (distance) C4'-P energy: -127.155 bonds (distance) P-C4' energy: -125.806 flat angles C4'-P-C4' energy: -110.102 flat angles P-C4'-P energy: -62.416 tors. eta vs tors. theta energy: -57.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3106.491598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.491598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.491598 (E_RNA) where: Base-Base interactions energy: -2200.289 where: short stacking energy: -925.913 Base-Backbone interact. energy: -6.729 local terms energy: -899.473469 where: bonds (distance) C4'-P energy: -172.330 bonds (distance) P-C4' energy: -155.995 flat angles C4'-P-C4' energy: -189.711 flat angles P-C4'-P energy: -116.685 tors. eta vs tors. theta energy: -264.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3015.604414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.604414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.604414 (E_RNA) where: Base-Base interactions energy: -2130.113 where: short stacking energy: -879.196 Base-Backbone interact. energy: -4.728 local terms energy: -880.763086 where: bonds (distance) C4'-P energy: -154.191 bonds (distance) P-C4' energy: -164.198 flat angles C4'-P-C4' energy: -189.986 flat angles P-C4'-P energy: -129.125 tors. eta vs tors. theta energy: -243.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2862.257467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.257467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.257467 (E_RNA) where: Base-Base interactions energy: -2049.501 where: short stacking energy: -824.227 Base-Backbone interact. energy: -4.408 local terms energy: -808.348596 where: bonds (distance) C4'-P energy: -142.448 bonds (distance) P-C4' energy: -165.858 flat angles C4'-P-C4' energy: -171.887 flat angles P-C4'-P energy: -112.300 tors. eta vs tors. theta energy: -215.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2758.390130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.390130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.390130 (E_RNA) where: Base-Base interactions energy: -1980.087 where: short stacking energy: -833.239 Base-Backbone interact. energy: -1.651 local terms energy: -776.652499 where: bonds (distance) C4'-P energy: -147.622 bonds (distance) P-C4' energy: -126.620 flat angles C4'-P-C4' energy: -164.689 flat angles P-C4'-P energy: -120.519 tors. eta vs tors. theta energy: -217.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2599.309155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.309155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.309155 (E_RNA) where: Base-Base interactions energy: -1854.704 where: short stacking energy: -769.010 Base-Backbone interact. energy: -2.145 local terms energy: -742.459555 where: bonds (distance) C4'-P energy: -122.185 bonds (distance) P-C4' energy: -137.362 flat angles C4'-P-C4' energy: -170.082 flat angles P-C4'-P energy: -117.315 tors. eta vs tors. theta energy: -195.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2461.030160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.030160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.030160 (E_RNA) where: Base-Base interactions energy: -1742.082 where: short stacking energy: -751.833 Base-Backbone interact. energy: -3.095 local terms energy: -715.853314 where: bonds (distance) C4'-P energy: -124.608 bonds (distance) P-C4' energy: -129.104 flat angles C4'-P-C4' energy: -163.531 flat angles P-C4'-P energy: -107.663 tors. eta vs tors. theta energy: -190.947 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: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2403.107688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.107688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.107688 (E_RNA) where: Base-Base interactions energy: -1673.305 where: short stacking energy: -704.753 Base-Backbone interact. energy: -2.029 local terms energy: -727.773711 where: bonds (distance) C4'-P energy: -141.623 bonds (distance) P-C4' energy: -151.533 flat angles C4'-P-C4' energy: -155.038 flat angles P-C4'-P energy: -89.875 tors. eta vs tors. theta energy: -189.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -2170.969825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.969825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.969825 (E_RNA) where: Base-Base interactions energy: -1519.970 where: short stacking energy: -648.509 Base-Backbone interact. energy: -3.487 local terms energy: -647.512449 where: bonds (distance) C4'-P energy: -98.749 bonds (distance) P-C4' energy: -133.578 flat angles C4'-P-C4' energy: -159.837 flat angles P-C4'-P energy: -97.025 tors. eta vs tors. theta energy: -158.323 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: 9, replica: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1986.136441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.136441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.136441 (E_RNA) where: Base-Base interactions energy: -1384.391 where: short stacking energy: -596.327 Base-Backbone interact. energy: -1.585 local terms energy: -600.161218 where: bonds (distance) C4'-P energy: -118.439 bonds (distance) P-C4' energy: -113.104 flat angles C4'-P-C4' energy: -138.480 flat angles P-C4'-P energy: -83.643 tors. eta vs tors. theta energy: -146.495 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: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1341.311612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.311612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.311612 (E_RNA) where: Base-Base interactions energy: -826.974 where: short stacking energy: -418.764 Base-Backbone interact. energy: 1.863 local terms energy: -516.200685 where: bonds (distance) C4'-P energy: -128.741 bonds (distance) P-C4' energy: -136.072 flat angles C4'-P-C4' energy: -135.339 flat angles P-C4'-P energy: -56.386 tors. eta vs tors. theta energy: -59.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3096.525736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.525736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.525736 (E_RNA) where: Base-Base interactions energy: -2190.760 where: short stacking energy: -901.281 Base-Backbone interact. energy: -2.821 local terms energy: -902.945301 where: bonds (distance) C4'-P energy: -148.106 bonds (distance) P-C4' energy: -164.319 flat angles C4'-P-C4' energy: -194.529 flat angles P-C4'-P energy: -136.732 tors. eta vs tors. theta energy: -259.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2987.964532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.964532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.964532 (E_RNA) where: Base-Base interactions energy: -2111.230 where: short stacking energy: -895.048 Base-Backbone interact. energy: -2.310 local terms energy: -874.424344 where: bonds (distance) C4'-P energy: -158.503 bonds (distance) P-C4' energy: -161.072 flat angles C4'-P-C4' energy: -187.377 flat angles P-C4'-P energy: -128.351 tors. eta vs tors. theta energy: -239.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2817.664901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.664901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.664901 (E_RNA) where: Base-Base interactions energy: -2042.019 where: short stacking energy: -834.603 Base-Backbone interact. energy: -1.059 local terms energy: -774.586822 where: bonds (distance) C4'-P energy: -150.033 bonds (distance) P-C4' energy: -142.596 flat angles C4'-P-C4' energy: -170.950 flat angles P-C4'-P energy: -111.106 tors. eta vs tors. theta energy: -199.901 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: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2766.820234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.820234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.820234 (E_RNA) where: Base-Base interactions energy: -1925.543 where: short stacking energy: -815.966 Base-Backbone interact. energy: 3.488 local terms energy: -844.764594 where: bonds (distance) C4'-P energy: -152.715 bonds (distance) P-C4' energy: -158.287 flat angles C4'-P-C4' energy: -179.415 flat angles P-C4'-P energy: -121.401 tors. eta vs tors. theta energy: -232.947 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: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2631.568938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.568938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.568938 (E_RNA) where: Base-Base interactions energy: -1883.680 where: short stacking energy: -761.354 Base-Backbone interact. energy: 1.212 local terms energy: -749.101748 where: bonds (distance) C4'-P energy: -148.256 bonds (distance) P-C4' energy: -123.855 flat angles C4'-P-C4' energy: -169.683 flat angles P-C4'-P energy: -111.405 tors. eta vs tors. theta energy: -195.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2490.452820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.452820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.452820 (E_RNA) where: Base-Base interactions energy: -1754.162 where: short stacking energy: -757.796 Base-Backbone interact. energy: -2.919 local terms energy: -733.371651 where: bonds (distance) C4'-P energy: -152.717 bonds (distance) P-C4' energy: -135.269 flat angles C4'-P-C4' energy: -149.349 flat angles P-C4'-P energy: -99.273 tors. eta vs tors. theta energy: -196.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2339.060422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.060422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.060422 (E_RNA) where: Base-Base interactions energy: -1625.033 where: short stacking energy: -685.742 Base-Backbone interact. energy: -1.795 local terms energy: -712.232420 where: bonds (distance) C4'-P energy: -136.495 bonds (distance) P-C4' energy: -131.955 flat angles C4'-P-C4' energy: -156.071 flat angles P-C4'-P energy: -92.387 tors. eta vs tors. theta energy: -195.325 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: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -2174.142973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.142973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.142973 (E_RNA) where: Base-Base interactions energy: -1497.509 where: short stacking energy: -671.392 Base-Backbone interact. energy: -2.313 local terms energy: -674.321002 where: bonds (distance) C4'-P energy: -143.414 bonds (distance) P-C4' energy: -125.337 flat angles C4'-P-C4' energy: -149.342 flat angles P-C4'-P energy: -91.522 tors. eta vs tors. theta energy: -164.707 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: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1938.255396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.255396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.255396 (E_RNA) where: Base-Base interactions energy: -1318.099 where: short stacking energy: -555.975 Base-Backbone interact. energy: 1.081 local terms energy: -621.236833 where: bonds (distance) C4'-P energy: -139.575 bonds (distance) P-C4' energy: -115.335 flat angles C4'-P-C4' energy: -130.890 flat angles P-C4'-P energy: -100.950 tors. eta vs tors. theta energy: -134.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1333.328667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.328667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.328667 (E_RNA) where: Base-Base interactions energy: -837.108 where: short stacking energy: -393.945 Base-Backbone interact. energy: -4.133 local terms energy: -492.087515 where: bonds (distance) C4'-P energy: -117.225 bonds (distance) P-C4' energy: -125.555 flat angles C4'-P-C4' energy: -118.724 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -35.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3102.421361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.421361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.421361 (E_RNA) where: Base-Base interactions energy: -2202.963 where: short stacking energy: -938.353 Base-Backbone interact. energy: -3.236 local terms energy: -896.222987 where: bonds (distance) C4'-P energy: -161.315 bonds (distance) P-C4' energy: -141.571 flat angles C4'-P-C4' energy: -188.192 flat angles P-C4'-P energy: -132.052 tors. eta vs tors. theta energy: -273.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2959.301604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.301604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.301604 (E_RNA) where: Base-Base interactions energy: -2093.302 where: short stacking energy: -864.657 Base-Backbone interact. energy: -3.857 local terms energy: -862.142133 where: bonds (distance) C4'-P energy: -147.871 bonds (distance) P-C4' energy: -159.578 flat angles C4'-P-C4' energy: -183.585 flat angles P-C4'-P energy: -124.722 tors. eta vs tors. theta energy: -246.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2874.958058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.958058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.958058 (E_RNA) where: Base-Base interactions energy: -2092.199 where: short stacking energy: -874.622 Base-Backbone interact. energy: -1.003 local terms energy: -781.756154 where: bonds (distance) C4'-P energy: -146.743 bonds (distance) P-C4' energy: -140.781 flat angles C4'-P-C4' energy: -171.974 flat angles P-C4'-P energy: -106.102 tors. eta vs tors. theta energy: -216.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2786.028979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.028979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.028979 (E_RNA) where: Base-Base interactions energy: -1983.153 where: short stacking energy: -814.416 Base-Backbone interact. energy: 3.296 local terms energy: -806.171681 where: bonds (distance) C4'-P energy: -147.679 bonds (distance) P-C4' energy: -162.154 flat angles C4'-P-C4' energy: -167.087 flat angles P-C4'-P energy: -105.835 tors. eta vs tors. theta energy: -223.417 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: 5, replica: 10 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2648.186553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.186553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.186553 (E_RNA) where: Base-Base interactions energy: -1891.430 where: short stacking energy: -780.151 Base-Backbone interact. energy: 2.133 local terms energy: -758.889912 where: bonds (distance) C4'-P energy: -127.107 bonds (distance) P-C4' energy: -150.005 flat angles C4'-P-C4' energy: -176.314 flat angles P-C4'-P energy: -111.414 tors. eta vs tors. theta energy: -194.051 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: 474 Temperature: 1.150000 Total energy: -2441.961518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.961518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.961518 (E_RNA) where: Base-Base interactions energy: -1714.213 where: short stacking energy: -723.858 Base-Backbone interact. energy: -5.783 local terms energy: -721.965254 where: bonds (distance) C4'-P energy: -151.417 bonds (distance) P-C4' energy: -133.188 flat angles C4'-P-C4' energy: -149.093 flat angles P-C4'-P energy: -95.684 tors. eta vs tors. theta energy: -192.583 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: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2395.857529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.857529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.857529 (E_RNA) where: Base-Base interactions energy: -1666.568 where: short stacking energy: -718.638 Base-Backbone interact. energy: -0.388 local terms energy: -728.901417 where: bonds (distance) C4'-P energy: -134.067 bonds (distance) P-C4' energy: -133.524 flat angles C4'-P-C4' energy: -164.107 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -208.386 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: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -2192.506569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.506569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.506569 (E_RNA) where: Base-Base interactions energy: -1536.597 where: short stacking energy: -665.672 Base-Backbone interact. energy: 3.398 local terms energy: -659.308028 where: bonds (distance) C4'-P energy: -121.121 bonds (distance) P-C4' energy: -120.836 flat angles C4'-P-C4' energy: -160.414 flat angles P-C4'-P energy: -91.740 tors. eta vs tors. theta energy: -165.197 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: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1920.824051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.824051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.824051 (E_RNA) where: Base-Base interactions energy: -1315.447 where: short stacking energy: -601.585 Base-Backbone interact. energy: -1.374 local terms energy: -604.003349 where: bonds (distance) C4'-P energy: -108.121 bonds (distance) P-C4' energy: -134.668 flat angles C4'-P-C4' energy: -138.283 flat angles P-C4'-P energy: -88.524 tors. eta vs tors. theta energy: -134.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1290.157403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.157403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.157403 (E_RNA) where: Base-Base interactions energy: -799.069 where: short stacking energy: -407.873 Base-Backbone interact. energy: 0.897 local terms energy: -491.985743 where: bonds (distance) C4'-P energy: -118.037 bonds (distance) P-C4' energy: -131.285 flat angles C4'-P-C4' energy: -131.630 flat angles P-C4'-P energy: -62.129 tors. eta vs tors. theta energy: -48.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3120.661369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.661369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.661369 (E_RNA) where: Base-Base interactions energy: -2214.624 where: short stacking energy: -929.675 Base-Backbone interact. energy: -4.094 local terms energy: -901.943789 where: bonds (distance) C4'-P energy: -160.825 bonds (distance) P-C4' energy: -158.450 flat angles C4'-P-C4' energy: -191.161 flat angles P-C4'-P energy: -124.553 tors. eta vs tors. theta energy: -266.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2949.840716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.840716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.840716 (E_RNA) where: Base-Base interactions energy: -2125.989 where: short stacking energy: -893.971 Base-Backbone interact. energy: 0.275 local terms energy: -824.126302 where: bonds (distance) C4'-P energy: -156.820 bonds (distance) P-C4' energy: -153.345 flat angles C4'-P-C4' energy: -175.851 flat angles P-C4'-P energy: -112.339 tors. eta vs tors. theta energy: -225.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2888.723956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.723956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.723956 (E_RNA) where: Base-Base interactions energy: -2046.492 where: short stacking energy: -834.090 Base-Backbone interact. energy: -3.709 local terms energy: -838.523040 where: bonds (distance) C4'-P energy: -147.856 bonds (distance) P-C4' energy: -149.996 flat angles C4'-P-C4' energy: -174.346 flat angles P-C4'-P energy: -117.484 tors. eta vs tors. theta energy: -248.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2804.516724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.516724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.516724 (E_RNA) where: Base-Base interactions energy: -2015.261 where: short stacking energy: -846.688 Base-Backbone interact. energy: 0.807 local terms energy: -790.062634 where: bonds (distance) C4'-P energy: -152.287 bonds (distance) P-C4' energy: -120.627 flat angles C4'-P-C4' energy: -160.444 flat angles P-C4'-P energy: -130.032 tors. eta vs tors. theta energy: -226.672 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: 475 Temperature: 1.100000 Total energy: -2661.006598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.006598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.006598 (E_RNA) where: Base-Base interactions energy: -1906.812 where: short stacking energy: -790.474 Base-Backbone interact. energy: -0.709 local terms energy: -753.485783 where: bonds (distance) C4'-P energy: -121.848 bonds (distance) P-C4' energy: -159.241 flat angles C4'-P-C4' energy: -169.409 flat angles P-C4'-P energy: -103.416 tors. eta vs tors. theta energy: -199.572 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: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2414.332721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.332721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.332721 (E_RNA) where: Base-Base interactions energy: -1705.201 where: short stacking energy: -735.189 Base-Backbone interact. energy: -1.412 local terms energy: -707.720159 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -142.812 flat angles C4'-P-C4' energy: -152.474 flat angles P-C4'-P energy: -91.805 tors. eta vs tors. theta energy: -205.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2386.185778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.185778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.185778 (E_RNA) where: Base-Base interactions energy: -1685.028 where: short stacking energy: -708.059 Base-Backbone interact. energy: -3.147 local terms energy: -698.010982 where: bonds (distance) C4'-P energy: -121.172 bonds (distance) P-C4' energy: -137.493 flat angles C4'-P-C4' energy: -166.446 flat angles P-C4'-P energy: -97.682 tors. eta vs tors. theta energy: -175.218 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: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -2138.761393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.761393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.761393 (E_RNA) where: Base-Base interactions energy: -1531.591 where: short stacking energy: -630.162 Base-Backbone interact. energy: 7.688 local terms energy: -614.858435 where: bonds (distance) C4'-P energy: -113.596 bonds (distance) P-C4' energy: -116.692 flat angles C4'-P-C4' energy: -144.353 flat angles P-C4'-P energy: -90.501 tors. eta vs tors. theta energy: -149.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1946.467376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.467376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.467376 (E_RNA) where: Base-Base interactions energy: -1338.966 where: short stacking energy: -576.194 Base-Backbone interact. energy: -2.265 local terms energy: -605.236161 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -113.191 flat angles C4'-P-C4' energy: -145.417 flat angles P-C4'-P energy: -91.591 tors. eta vs tors. theta energy: -126.665 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: 475 Temperature: 1.350000 Total energy: -1239.338482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.338482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.338482 (E_RNA) where: Base-Base interactions energy: -751.213 where: short stacking energy: -382.780 Base-Backbone interact. energy: 4.178 local terms energy: -492.303053 where: bonds (distance) C4'-P energy: -116.752 bonds (distance) P-C4' energy: -120.671 flat angles C4'-P-C4' energy: -121.216 flat angles P-C4'-P energy: -92.242 tors. eta vs tors. theta energy: -41.422 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: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3117.222758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.222758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.222758 (E_RNA) where: Base-Base interactions energy: -2225.855 where: short stacking energy: -932.635 Base-Backbone interact. energy: -5.684 local terms energy: -885.684357 where: bonds (distance) C4'-P energy: -159.784 bonds (distance) P-C4' energy: -165.608 flat angles C4'-P-C4' energy: -171.460 flat angles P-C4'-P energy: -120.678 tors. eta vs tors. theta energy: -268.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2919.872276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.872276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.872276 (E_RNA) where: Base-Base interactions energy: -2119.149 where: short stacking energy: -861.530 Base-Backbone interact. energy: 3.382 local terms energy: -804.104689 where: bonds (distance) C4'-P energy: -147.867 bonds (distance) P-C4' energy: -153.004 flat angles C4'-P-C4' energy: -174.675 flat angles P-C4'-P energy: -110.711 tors. eta vs tors. theta energy: -217.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2932.431324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.431324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.431324 (E_RNA) where: Base-Base interactions energy: -2114.542 where: short stacking energy: -856.470 Base-Backbone interact. energy: -6.559 local terms energy: -811.330115 where: bonds (distance) C4'-P energy: -145.360 bonds (distance) P-C4' energy: -140.604 flat angles C4'-P-C4' energy: -177.382 flat angles P-C4'-P energy: -113.097 tors. eta vs tors. theta energy: -234.886 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: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2815.776731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.776731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.776731 (E_RNA) where: Base-Base interactions energy: -1995.459 where: short stacking energy: -861.346 Base-Backbone interact. energy: -4.213 local terms energy: -816.104734 where: bonds (distance) C4'-P energy: -144.111 bonds (distance) P-C4' energy: -157.378 flat angles C4'-P-C4' energy: -173.109 flat angles P-C4'-P energy: -110.788 tors. eta vs tors. theta energy: -230.719 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: 10 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2663.840008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.840008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.840008 (E_RNA) where: Base-Base interactions energy: -1908.259 where: short stacking energy: -764.124 Base-Backbone interact. energy: -3.079 local terms energy: -752.501683 where: bonds (distance) C4'-P energy: -125.117 bonds (distance) P-C4' energy: -150.619 flat angles C4'-P-C4' energy: -168.932 flat angles P-C4'-P energy: -110.447 tors. eta vs tors. theta energy: -197.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2403.434147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.434147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.434147 (E_RNA) where: Base-Base interactions energy: -1656.437 where: short stacking energy: -726.154 Base-Backbone interact. energy: -2.128 local terms energy: -744.868854 where: bonds (distance) C4'-P energy: -138.447 bonds (distance) P-C4' energy: -135.711 flat angles C4'-P-C4' energy: -171.071 flat angles P-C4'-P energy: -94.868 tors. eta vs tors. theta energy: -204.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2407.449635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.449635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.449635 (E_RNA) where: Base-Base interactions energy: -1710.817 where: short stacking energy: -743.328 Base-Backbone interact. energy: -1.705 local terms energy: -694.928078 where: bonds (distance) C4'-P energy: -134.799 bonds (distance) P-C4' energy: -127.622 flat angles C4'-P-C4' energy: -151.781 flat angles P-C4'-P energy: -96.591 tors. eta vs tors. theta energy: -184.135 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: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -2205.928873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.928873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.928873 (E_RNA) where: Base-Base interactions energy: -1521.718 where: short stacking energy: -667.712 Base-Backbone interact. energy: -3.207 local terms energy: -681.004411 where: bonds (distance) C4'-P energy: -125.142 bonds (distance) P-C4' energy: -131.093 flat angles C4'-P-C4' energy: -154.786 flat angles P-C4'-P energy: -102.514 tors. eta vs tors. theta energy: -167.469 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: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1943.846586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.846586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.846586 (E_RNA) where: Base-Base interactions energy: -1341.639 where: short stacking energy: -579.571 Base-Backbone interact. energy: 6.503 local terms energy: -608.711015 where: bonds (distance) C4'-P energy: -128.159 bonds (distance) P-C4' energy: -115.548 flat angles C4'-P-C4' energy: -157.080 flat angles P-C4'-P energy: -83.564 tors. eta vs tors. theta energy: -124.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1326.056743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.056743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.056743 (E_RNA) where: Base-Base interactions energy: -809.986 where: short stacking energy: -379.778 Base-Backbone interact. energy: 0.125 local terms energy: -516.195326 where: bonds (distance) C4'-P energy: -135.147 bonds (distance) P-C4' energy: -131.534 flat angles C4'-P-C4' energy: -132.434 flat angles P-C4'-P energy: -72.788 tors. eta vs tors. theta energy: -44.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3105.826958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.826958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.826958 (E_RNA) where: Base-Base interactions energy: -2197.196 where: short stacking energy: -942.781 Base-Backbone interact. energy: -3.412 local terms energy: -905.218577 where: bonds (distance) C4'-P energy: -166.297 bonds (distance) P-C4' energy: -149.128 flat angles C4'-P-C4' energy: -192.110 flat angles P-C4'-P energy: -128.526 tors. eta vs tors. theta energy: -269.159 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: 477 Temperature: 0.950000 Total energy: -2937.630814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.630814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.630814 (E_RNA) where: Base-Base interactions energy: -2137.456 where: short stacking energy: -901.634 Base-Backbone interact. energy: -3.486 local terms energy: -796.688490 where: bonds (distance) C4'-P energy: -158.113 bonds (distance) P-C4' energy: -142.203 flat angles C4'-P-C4' energy: -169.296 flat angles P-C4'-P energy: -106.948 tors. eta vs tors. theta energy: -220.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2939.131991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.131991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.131991 (E_RNA) where: Base-Base interactions energy: -2098.855 where: short stacking energy: -865.958 Base-Backbone interact. energy: -2.245 local terms energy: -838.031890 where: bonds (distance) C4'-P energy: -151.398 bonds (distance) P-C4' energy: -148.289 flat angles C4'-P-C4' energy: -178.175 flat angles P-C4'-P energy: -121.159 tors. eta vs tors. theta energy: -239.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2802.415415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.415415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.415415 (E_RNA) where: Base-Base interactions energy: -1978.926 where: short stacking energy: -830.232 Base-Backbone interact. energy: -2.452 local terms energy: -821.037454 where: bonds (distance) C4'-P energy: -147.808 bonds (distance) P-C4' energy: -153.330 flat angles C4'-P-C4' energy: -169.714 flat angles P-C4'-P energy: -127.180 tors. eta vs tors. theta energy: -223.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2682.227886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.227886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.227886 (E_RNA) where: Base-Base interactions energy: -1923.556 where: short stacking energy: -778.564 Base-Backbone interact. energy: -5.254 local terms energy: -753.418444 where: bonds (distance) C4'-P energy: -151.026 bonds (distance) P-C4' energy: -153.220 flat angles C4'-P-C4' energy: -145.981 flat angles P-C4'-P energy: -98.979 tors. eta vs tors. theta energy: -204.212 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: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2513.124670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.124670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.124670 (E_RNA) where: Base-Base interactions energy: -1740.867 where: short stacking energy: -755.874 Base-Backbone interact. energy: -1.659 local terms energy: -770.599130 where: bonds (distance) C4'-P energy: -150.577 bonds (distance) P-C4' energy: -140.861 flat angles C4'-P-C4' energy: -165.903 flat angles P-C4'-P energy: -111.933 tors. eta vs tors. theta energy: -201.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2327.230823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.230823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.230823 (E_RNA) where: Base-Base interactions energy: -1605.682 where: short stacking energy: -688.409 Base-Backbone interact. energy: 1.446 local terms energy: -722.994734 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -138.060 flat angles C4'-P-C4' energy: -156.009 flat angles P-C4'-P energy: -112.348 tors. eta vs tors. theta energy: -187.815 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: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -2212.853685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.853685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.853685 (E_RNA) where: Base-Base interactions energy: -1588.046 where: short stacking energy: -669.335 Base-Backbone interact. energy: 2.304 local terms energy: -627.112277 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -123.363 flat angles C4'-P-C4' energy: -131.204 flat angles P-C4'-P energy: -104.383 tors. eta vs tors. theta energy: -153.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1958.875072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.875072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.875072 (E_RNA) where: Base-Base interactions energy: -1321.728 where: short stacking energy: -570.361 Base-Backbone interact. energy: -3.288 local terms energy: -633.859215 where: bonds (distance) C4'-P energy: -141.286 bonds (distance) P-C4' energy: -152.922 flat angles C4'-P-C4' energy: -132.883 flat angles P-C4'-P energy: -84.126 tors. eta vs tors. theta energy: -122.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1204.438811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.438811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.438811 (E_RNA) where: Base-Base interactions energy: -707.583 where: short stacking energy: -320.964 Base-Backbone interact. energy: 0.842 local terms energy: -497.697162 where: bonds (distance) C4'-P energy: -136.913 bonds (distance) P-C4' energy: -131.617 flat angles C4'-P-C4' energy: -126.595 flat angles P-C4'-P energy: -62.725 tors. eta vs tors. theta energy: -39.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3099.934830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.934830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.934830 (E_RNA) where: Base-Base interactions energy: -2192.240 where: short stacking energy: -928.946 Base-Backbone interact. energy: -2.260 local terms energy: -905.434667 where: bonds (distance) C4'-P energy: -151.870 bonds (distance) P-C4' energy: -166.968 flat angles C4'-P-C4' energy: -188.490 flat angles P-C4'-P energy: -131.973 tors. eta vs tors. theta energy: -266.134 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: 478 Temperature: 0.950000 Total energy: -2968.236452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.236452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.236452 (E_RNA) where: Base-Base interactions energy: -2120.084 where: short stacking energy: -860.089 Base-Backbone interact. energy: 1.916 local terms energy: -850.068188 where: bonds (distance) C4'-P energy: -149.334 bonds (distance) P-C4' energy: -164.134 flat angles C4'-P-C4' energy: -193.553 flat angles P-C4'-P energy: -120.101 tors. eta vs tors. theta energy: -222.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2890.879593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.879593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.879593 (E_RNA) where: Base-Base interactions energy: -2055.772 where: short stacking energy: -852.530 Base-Backbone interact. energy: -3.276 local terms energy: -831.831573 where: bonds (distance) C4'-P energy: -163.052 bonds (distance) P-C4' energy: -149.702 flat angles C4'-P-C4' energy: -181.108 flat angles P-C4'-P energy: -106.375 tors. eta vs tors. theta energy: -231.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2803.183697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.183697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.183697 (E_RNA) where: Base-Base interactions energy: -1996.406 where: short stacking energy: -847.359 Base-Backbone interact. energy: -3.529 local terms energy: -803.248517 where: bonds (distance) C4'-P energy: -137.676 bonds (distance) P-C4' energy: -149.423 flat angles C4'-P-C4' energy: -180.225 flat angles P-C4'-P energy: -110.603 tors. eta vs tors. theta energy: -225.322 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: 478 Temperature: 1.100000 Total energy: -2681.051368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.051368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.051368 (E_RNA) where: Base-Base interactions energy: -1924.138 where: short stacking energy: -786.578 Base-Backbone interact. energy: -4.637 local terms energy: -752.276537 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -130.477 flat angles C4'-P-C4' energy: -181.234 flat angles P-C4'-P energy: -111.991 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: 6, replica: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2513.044127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.044127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.044127 (E_RNA) where: Base-Base interactions energy: -1761.320 where: short stacking energy: -769.666 Base-Backbone interact. energy: 1.363 local terms energy: -753.086649 where: bonds (distance) C4'-P energy: -129.885 bonds (distance) P-C4' energy: -136.926 flat angles C4'-P-C4' energy: -168.446 flat angles P-C4'-P energy: -110.850 tors. eta vs tors. theta energy: -206.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2307.165035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.165035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.165035 (E_RNA) where: Base-Base interactions energy: -1602.809 where: short stacking energy: -698.696 Base-Backbone interact. energy: -4.415 local terms energy: -699.940825 where: bonds (distance) C4'-P energy: -126.668 bonds (distance) P-C4' energy: -120.546 flat angles C4'-P-C4' energy: -160.845 flat angles P-C4'-P energy: -100.825 tors. eta vs tors. theta energy: -191.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -2276.502228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.502228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.502228 (E_RNA) where: Base-Base interactions energy: -1608.898 where: short stacking energy: -657.124 Base-Backbone interact. energy: -1.564 local terms energy: -666.040581 where: bonds (distance) C4'-P energy: -132.196 bonds (distance) P-C4' energy: -142.930 flat angles C4'-P-C4' energy: -146.806 flat angles P-C4'-P energy: -99.918 tors. eta vs tors. theta energy: -144.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1925.572942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.572942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.572942 (E_RNA) where: Base-Base interactions energy: -1283.568 where: short stacking energy: -586.061 Base-Backbone interact. energy: -3.373 local terms energy: -638.631296 where: bonds (distance) C4'-P energy: -138.971 bonds (distance) P-C4' energy: -137.708 flat angles C4'-P-C4' energy: -138.028 flat angles P-C4'-P energy: -87.041 tors. eta vs tors. theta energy: -136.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1210.015588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.015588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.015588 (E_RNA) where: Base-Base interactions energy: -751.330 where: short stacking energy: -365.315 Base-Backbone interact. energy: 0.507 local terms energy: -459.192604 where: bonds (distance) C4'-P energy: -122.061 bonds (distance) P-C4' energy: -127.537 flat angles C4'-P-C4' energy: -120.223 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: -38.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3149.840790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.840790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.840790 (E_RNA) where: Base-Base interactions energy: -2252.070 where: short stacking energy: -957.974 Base-Backbone interact. energy: -6.194 local terms energy: -891.577101 where: bonds (distance) C4'-P energy: -148.932 bonds (distance) P-C4' energy: -173.777 flat angles C4'-P-C4' energy: -184.419 flat angles P-C4'-P energy: -118.861 tors. eta vs tors. theta energy: -265.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2959.358473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.358473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.358473 (E_RNA) where: Base-Base interactions energy: -2109.119 where: short stacking energy: -907.170 Base-Backbone interact. energy: -3.755 local terms energy: -846.484542 where: bonds (distance) C4'-P energy: -146.134 bonds (distance) P-C4' energy: -156.950 flat angles C4'-P-C4' energy: -187.021 flat angles P-C4'-P energy: -125.660 tors. eta vs tors. theta energy: -230.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2881.477729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.477729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.477729 (E_RNA) where: Base-Base interactions energy: -2052.544 where: short stacking energy: -861.056 Base-Backbone interact. energy: -3.603 local terms energy: -825.330184 where: bonds (distance) C4'-P energy: -151.780 bonds (distance) P-C4' energy: -144.617 flat angles C4'-P-C4' energy: -180.823 flat angles P-C4'-P energy: -114.956 tors. eta vs tors. theta energy: -233.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2771.189967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.189967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.189967 (E_RNA) where: Base-Base interactions energy: -1981.080 where: short stacking energy: -815.244 Base-Backbone interact. energy: -5.246 local terms energy: -784.864135 where: bonds (distance) C4'-P energy: -146.068 bonds (distance) P-C4' energy: -142.275 flat angles C4'-P-C4' energy: -172.503 flat angles P-C4'-P energy: -112.349 tors. eta vs tors. theta energy: -211.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2618.350843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.350843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.350843 (E_RNA) where: Base-Base interactions energy: -1878.568 where: short stacking energy: -771.991 Base-Backbone interact. energy: 0.834 local terms energy: -740.617530 where: bonds (distance) C4'-P energy: -148.483 bonds (distance) P-C4' energy: -120.741 flat angles C4'-P-C4' energy: -161.185 flat angles P-C4'-P energy: -116.966 tors. eta vs tors. theta energy: -193.242 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: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2487.405668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.405668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.405668 (E_RNA) where: Base-Base interactions energy: -1735.394 where: short stacking energy: -751.978 Base-Backbone interact. energy: -2.360 local terms energy: -749.651820 where: bonds (distance) C4'-P energy: -134.779 bonds (distance) P-C4' energy: -137.397 flat angles C4'-P-C4' energy: -163.092 flat angles P-C4'-P energy: -108.072 tors. eta vs tors. theta energy: -206.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2259.885634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.885634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.885634 (E_RNA) where: Base-Base interactions energy: -1553.031 where: short stacking energy: -699.270 Base-Backbone interact. energy: -3.505 local terms energy: -703.349517 where: bonds (distance) C4'-P energy: -141.571 bonds (distance) P-C4' energy: -141.634 flat angles C4'-P-C4' energy: -149.819 flat angles P-C4'-P energy: -99.082 tors. eta vs tors. theta energy: -171.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -2271.140897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.140897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.140897 (E_RNA) where: Base-Base interactions energy: -1632.162 where: short stacking energy: -688.059 Base-Backbone interact. energy: -2.290 local terms energy: -636.689280 where: bonds (distance) C4'-P energy: -107.238 bonds (distance) P-C4' energy: -128.388 flat angles C4'-P-C4' energy: -155.893 flat angles P-C4'-P energy: -80.808 tors. eta vs tors. theta energy: -164.363 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: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1941.486623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.486623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.486623 (E_RNA) where: Base-Base interactions energy: -1341.493 where: short stacking energy: -595.120 Base-Backbone interact. energy: 3.888 local terms energy: -603.881122 where: bonds (distance) C4'-P energy: -112.246 bonds (distance) P-C4' energy: -133.660 flat angles C4'-P-C4' energy: -137.895 flat angles P-C4'-P energy: -83.047 tors. eta vs tors. theta energy: -137.033 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: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1232.963987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.963987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.963987 (E_RNA) where: Base-Base interactions energy: -746.333 where: short stacking energy: -379.745 Base-Backbone interact. energy: 1.685 local terms energy: -488.316370 where: bonds (distance) C4'-P energy: -145.618 bonds (distance) P-C4' energy: -134.012 flat angles C4'-P-C4' energy: -89.323 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -44.195 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: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3113.378515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.378515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.378515 (E_RNA) where: Base-Base interactions energy: -2211.876 where: short stacking energy: -938.330 Base-Backbone interact. energy: -4.840 local terms energy: -896.662834 where: bonds (distance) C4'-P energy: -161.952 bonds (distance) P-C4' energy: -164.638 flat angles C4'-P-C4' energy: -183.659 flat angles P-C4'-P energy: -120.878 tors. eta vs tors. theta energy: -265.535 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: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2958.539056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.539056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.539056 (E_RNA) where: Base-Base interactions energy: -2115.352 where: short stacking energy: -882.246 Base-Backbone interact. energy: -6.998 local terms energy: -836.188973 where: bonds (distance) C4'-P energy: -157.736 bonds (distance) P-C4' energy: -163.075 flat angles C4'-P-C4' energy: -173.265 flat angles P-C4'-P energy: -116.401 tors. eta vs tors. theta energy: -225.712 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: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2853.293513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.293513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.293513 (E_RNA) where: Base-Base interactions energy: -2066.268 where: short stacking energy: -838.522 Base-Backbone interact. energy: 2.623 local terms energy: -789.649158 where: bonds (distance) C4'-P energy: -144.033 bonds (distance) P-C4' energy: -141.577 flat angles C4'-P-C4' energy: -174.589 flat angles P-C4'-P energy: -116.778 tors. eta vs tors. theta energy: -212.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2783.710549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.710549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.710549 (E_RNA) where: Base-Base interactions energy: -1987.557 where: short stacking energy: -813.538 Base-Backbone interact. energy: 3.465 local terms energy: -799.618062 where: bonds (distance) C4'-P energy: -116.927 bonds (distance) P-C4' energy: -159.411 flat angles C4'-P-C4' energy: -177.008 flat angles P-C4'-P energy: -119.831 tors. eta vs tors. theta energy: -226.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2649.685241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.685241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.685241 (E_RNA) where: Base-Base interactions energy: -1885.111 where: short stacking energy: -800.408 Base-Backbone interact. energy: -3.564 local terms energy: -761.010068 where: bonds (distance) C4'-P energy: -138.068 bonds (distance) P-C4' energy: -161.953 flat angles C4'-P-C4' energy: -157.967 flat angles P-C4'-P energy: -93.154 tors. eta vs tors. theta energy: -209.869 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: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2516.996594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.996594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.996594 (E_RNA) where: Base-Base interactions energy: -1752.437 where: short stacking energy: -764.770 Base-Backbone interact. energy: -1.968 local terms energy: -762.591565 where: bonds (distance) C4'-P energy: -137.708 bonds (distance) P-C4' energy: -132.136 flat angles C4'-P-C4' energy: -170.441 flat angles P-C4'-P energy: -111.774 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: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2252.354372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.354372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.354372 (E_RNA) where: Base-Base interactions energy: -1593.437 where: short stacking energy: -697.263 Base-Backbone interact. energy: -1.417 local terms energy: -657.500359 where: bonds (distance) C4'-P energy: -132.643 bonds (distance) P-C4' energy: -125.573 flat angles C4'-P-C4' energy: -149.055 flat angles P-C4'-P energy: -102.855 tors. eta vs tors. theta energy: -147.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -2280.291142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.291142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.291142 (E_RNA) where: Base-Base interactions energy: -1609.905 where: short stacking energy: -681.592 Base-Backbone interact. energy: -1.534 local terms energy: -668.852473 where: bonds (distance) C4'-P energy: -102.342 bonds (distance) P-C4' energy: -144.142 flat angles C4'-P-C4' energy: -163.098 flat angles P-C4'-P energy: -85.660 tors. eta vs tors. theta energy: -173.611 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: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1933.722328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.722328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.722328 (E_RNA) where: Base-Base interactions energy: -1359.225 where: short stacking energy: -592.755 Base-Backbone interact. energy: 1.851 local terms energy: -576.348019 where: bonds (distance) C4'-P energy: -108.083 bonds (distance) P-C4' energy: -110.925 flat angles C4'-P-C4' energy: -137.322 flat angles P-C4'-P energy: -96.249 tors. eta vs tors. theta energy: -123.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1258.221887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.221887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.221887 (E_RNA) where: Base-Base interactions energy: -771.329 where: short stacking energy: -356.865 Base-Backbone interact. energy: 0.073 local terms energy: -486.965440 where: bonds (distance) C4'-P energy: -130.240 bonds (distance) P-C4' energy: -134.312 flat angles C4'-P-C4' energy: -121.184 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -47.725 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: 481 Temperature: 0.900000 Total energy: -3135.596419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.596419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.596419 (E_RNA) where: Base-Base interactions energy: -2246.984 where: short stacking energy: -932.750 Base-Backbone interact. energy: -3.872 local terms energy: -884.740231 where: bonds (distance) C4'-P energy: -167.075 bonds (distance) P-C4' energy: -157.275 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -118.602 tors. eta vs tors. theta energy: -264.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2977.216991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.216991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.216991 (E_RNA) where: Base-Base interactions energy: -2116.871 where: short stacking energy: -893.415 Base-Backbone interact. energy: -2.559 local terms energy: -857.787307 where: bonds (distance) C4'-P energy: -153.635 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -174.676 flat angles P-C4'-P energy: -135.819 tors. eta vs tors. theta energy: -237.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2856.559614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.559614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.559614 (E_RNA) where: Base-Base interactions energy: -2040.002 where: short stacking energy: -857.566 Base-Backbone interact. energy: -3.390 local terms energy: -813.167042 where: bonds (distance) C4'-P energy: -141.488 bonds (distance) P-C4' energy: -159.963 flat angles C4'-P-C4' energy: -173.163 flat angles P-C4'-P energy: -113.203 tors. eta vs tors. theta energy: -225.349 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: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2811.515527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.515527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.515527 (E_RNA) where: Base-Base interactions energy: -2003.083 where: short stacking energy: -855.789 Base-Backbone interact. energy: -0.949 local terms energy: -807.484331 where: bonds (distance) C4'-P energy: -131.410 bonds (distance) P-C4' energy: -157.080 flat angles C4'-P-C4' energy: -173.915 flat angles P-C4'-P energy: -123.783 tors. eta vs tors. theta energy: -221.296 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: 10 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2652.571365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.571365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.571365 (E_RNA) where: Base-Base interactions energy: -1893.850 where: short stacking energy: -786.013 Base-Backbone interact. energy: -4.085 local terms energy: -754.635919 where: bonds (distance) C4'-P energy: -131.855 bonds (distance) P-C4' energy: -161.033 flat angles C4'-P-C4' energy: -156.448 flat angles P-C4'-P energy: -103.429 tors. eta vs tors. theta energy: -201.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2508.022733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.022733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.022733 (E_RNA) where: Base-Base interactions energy: -1782.650 where: short stacking energy: -757.290 Base-Backbone interact. energy: -1.205 local terms energy: -724.167500 where: bonds (distance) C4'-P energy: -127.653 bonds (distance) P-C4' energy: -139.349 flat angles C4'-P-C4' energy: -164.142 flat angles P-C4'-P energy: -80.763 tors. eta vs tors. theta energy: -212.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2298.625255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.625255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.625255 (E_RNA) where: Base-Base interactions energy: -1573.035 where: short stacking energy: -718.945 Base-Backbone interact. energy: -3.410 local terms energy: -722.180318 where: bonds (distance) C4'-P energy: -122.297 bonds (distance) P-C4' energy: -130.607 flat angles C4'-P-C4' energy: -162.702 flat angles P-C4'-P energy: -108.724 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: 8, replica: 1 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -2234.970852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.970852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.970852 (E_RNA) where: Base-Base interactions energy: -1583.918 where: short stacking energy: -679.684 Base-Backbone interact. energy: -1.177 local terms energy: -649.875783 where: bonds (distance) C4'-P energy: -103.073 bonds (distance) P-C4' energy: -121.682 flat angles C4'-P-C4' energy: -169.262 flat angles P-C4'-P energy: -97.775 tors. eta vs tors. theta energy: -158.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1954.750835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.750835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.750835 (E_RNA) where: Base-Base interactions energy: -1312.474 where: short stacking energy: -589.402 Base-Backbone interact. energy: -1.814 local terms energy: -640.462842 where: bonds (distance) C4'-P energy: -135.367 bonds (distance) P-C4' energy: -136.983 flat angles C4'-P-C4' energy: -145.046 flat angles P-C4'-P energy: -92.210 tors. eta vs tors. theta energy: -130.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1246.911874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.911874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.911874 (E_RNA) where: Base-Base interactions energy: -760.484 where: short stacking energy: -353.437 Base-Backbone interact. energy: 0.331 local terms energy: -486.759409 where: bonds (distance) C4'-P energy: -111.514 bonds (distance) P-C4' energy: -141.278 flat angles C4'-P-C4' energy: -128.533 flat angles P-C4'-P energy: -75.252 tors. eta vs tors. theta energy: -30.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3125.619037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.619037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.619037 (E_RNA) where: Base-Base interactions energy: -2230.775 where: short stacking energy: -921.754 Base-Backbone interact. energy: -9.935 local terms energy: -884.909547 where: bonds (distance) C4'-P energy: -152.376 bonds (distance) P-C4' energy: -158.602 flat angles C4'-P-C4' energy: -186.112 flat angles P-C4'-P energy: -128.660 tors. eta vs tors. theta energy: -259.159 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: 482 Temperature: 0.950000 Total energy: -2945.066703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.066703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.066703 (E_RNA) where: Base-Base interactions energy: -2104.419 where: short stacking energy: -865.168 Base-Backbone interact. energy: -3.323 local terms energy: -837.324794 where: bonds (distance) C4'-P energy: -138.475 bonds (distance) P-C4' energy: -162.826 flat angles C4'-P-C4' energy: -185.293 flat angles P-C4'-P energy: -128.333 tors. eta vs tors. theta energy: -222.397 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: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2914.871130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.871130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.871130 (E_RNA) where: Base-Base interactions energy: -2075.163 where: short stacking energy: -857.178 Base-Backbone interact. energy: -0.644 local terms energy: -839.064217 where: bonds (distance) C4'-P energy: -155.732 bonds (distance) P-C4' energy: -159.456 flat angles C4'-P-C4' energy: -171.408 flat angles P-C4'-P energy: -114.662 tors. eta vs tors. theta energy: -237.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2778.919626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.919626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.919626 (E_RNA) where: Base-Base interactions energy: -1983.686 where: short stacking energy: -835.271 Base-Backbone interact. energy: -3.423 local terms energy: -791.810716 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -128.204 flat angles C4'-P-C4' energy: -167.242 flat angles P-C4'-P energy: -125.552 tors. eta vs tors. theta energy: -226.667 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: 10 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2618.662719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.662719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.662719 (E_RNA) where: Base-Base interactions energy: -1865.507 where: short stacking energy: -759.359 Base-Backbone interact. energy: -6.646 local terms energy: -746.509129 where: bonds (distance) C4'-P energy: -139.051 bonds (distance) P-C4' energy: -142.438 flat angles C4'-P-C4' energy: -165.474 flat angles P-C4'-P energy: -96.669 tors. eta vs tors. theta energy: -202.876 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: 482 Temperature: 1.150000 Total energy: -2471.455458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.455458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.455458 (E_RNA) where: Base-Base interactions energy: -1706.486 where: short stacking energy: -749.137 Base-Backbone interact. energy: -2.752 local terms energy: -762.218183 where: bonds (distance) C4'-P energy: -128.053 bonds (distance) P-C4' energy: -167.745 flat angles C4'-P-C4' energy: -160.743 flat angles P-C4'-P energy: -98.522 tors. eta vs tors. theta energy: -207.155 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: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2234.765543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.765543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.765543 (E_RNA) where: Base-Base interactions energy: -1547.277 where: short stacking energy: -666.508 Base-Backbone interact. energy: 0.372 local terms energy: -687.860275 where: bonds (distance) C4'-P energy: -138.650 bonds (distance) P-C4' energy: -141.999 flat angles C4'-P-C4' energy: -140.417 flat angles P-C4'-P energy: -102.200 tors. eta vs tors. theta energy: -164.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -2170.787631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.787631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.787631 (E_RNA) where: Base-Base interactions energy: -1491.487 where: short stacking energy: -626.863 Base-Backbone interact. energy: -2.959 local terms energy: -676.341795 where: bonds (distance) C4'-P energy: -139.542 bonds (distance) P-C4' energy: -147.817 flat angles C4'-P-C4' energy: -150.258 flat angles P-C4'-P energy: -85.139 tors. eta vs tors. theta energy: -153.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1956.891756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.891756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.891756 (E_RNA) where: Base-Base interactions energy: -1363.183 where: short stacking energy: -588.487 Base-Backbone interact. energy: 0.782 local terms energy: -594.491066 where: bonds (distance) C4'-P energy: -108.064 bonds (distance) P-C4' energy: -125.458 flat angles C4'-P-C4' energy: -143.694 flat angles P-C4'-P energy: -88.662 tors. eta vs tors. theta energy: -128.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1320.923999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.923999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.923999 (E_RNA) where: Base-Base interactions energy: -829.912 where: short stacking energy: -396.156 Base-Backbone interact. energy: -0.624 local terms energy: -490.388348 where: bonds (distance) C4'-P energy: -125.982 bonds (distance) P-C4' energy: -129.604 flat angles C4'-P-C4' energy: -104.005 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: -62.063 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: 9 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3147.905800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.905800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.905800 (E_RNA) where: Base-Base interactions energy: -2262.136 where: short stacking energy: -931.102 Base-Backbone interact. energy: -3.000 local terms energy: -882.769654 where: bonds (distance) C4'-P energy: -153.682 bonds (distance) P-C4' energy: -161.942 flat angles C4'-P-C4' energy: -172.666 flat angles P-C4'-P energy: -130.022 tors. eta vs tors. theta energy: -264.457 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: 483 Temperature: 0.950000 Total energy: -2918.655151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.655151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.655151 (E_RNA) where: Base-Base interactions energy: -2098.908 where: short stacking energy: -871.511 Base-Backbone interact. energy: -3.722 local terms energy: -816.024697 where: bonds (distance) C4'-P energy: -144.496 bonds (distance) P-C4' energy: -158.149 flat angles C4'-P-C4' energy: -177.561 flat angles P-C4'-P energy: -126.930 tors. eta vs tors. theta energy: -208.888 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: 3 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2887.443517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.443517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.443517 (E_RNA) where: Base-Base interactions energy: -2050.098 where: short stacking energy: -873.369 Base-Backbone interact. energy: -1.389 local terms energy: -835.956872 where: bonds (distance) C4'-P energy: -152.411 bonds (distance) P-C4' energy: -145.762 flat angles C4'-P-C4' energy: -183.188 flat angles P-C4'-P energy: -125.044 tors. eta vs tors. theta energy: -229.551 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: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2800.613699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.613699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.613699 (E_RNA) where: Base-Base interactions energy: -1967.745 where: short stacking energy: -839.380 Base-Backbone interact. energy: -6.443 local terms energy: -826.426334 where: bonds (distance) C4'-P energy: -141.012 bonds (distance) P-C4' energy: -151.093 flat angles C4'-P-C4' energy: -188.050 flat angles P-C4'-P energy: -126.114 tors. eta vs tors. theta energy: -220.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2633.180207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.180207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.180207 (E_RNA) where: Base-Base interactions energy: -1870.728 where: short stacking energy: -776.179 Base-Backbone interact. energy: 0.027 local terms energy: -762.479860 where: bonds (distance) C4'-P energy: -125.513 bonds (distance) P-C4' energy: -149.841 flat angles C4'-P-C4' energy: -167.242 flat angles P-C4'-P energy: -115.616 tors. eta vs tors. theta energy: -204.268 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: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2542.099392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.099392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.099392 (E_RNA) where: Base-Base interactions energy: -1811.835 where: short stacking energy: -795.488 Base-Backbone interact. energy: -1.562 local terms energy: -728.702553 where: bonds (distance) C4'-P energy: -107.370 bonds (distance) P-C4' energy: -122.351 flat angles C4'-P-C4' energy: -163.198 flat angles P-C4'-P energy: -109.528 tors. eta vs tors. theta energy: -226.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2291.500719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.500719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.500719 (E_RNA) where: Base-Base interactions energy: -1588.913 where: short stacking energy: -688.224 Base-Backbone interact. energy: 0.012 local terms energy: -702.599060 where: bonds (distance) C4'-P energy: -152.939 bonds (distance) P-C4' energy: -147.713 flat angles C4'-P-C4' energy: -141.742 flat angles P-C4'-P energy: -91.926 tors. eta vs tors. theta energy: -168.280 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: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -2184.336851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.336851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.336851 (E_RNA) where: Base-Base interactions energy: -1524.290 where: short stacking energy: -667.485 Base-Backbone interact. energy: -3.048 local terms energy: -656.999002 where: bonds (distance) C4'-P energy: -129.068 bonds (distance) P-C4' energy: -128.361 flat angles C4'-P-C4' energy: -145.625 flat angles P-C4'-P energy: -92.234 tors. eta vs tors. theta energy: -161.712 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: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1956.481732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.481732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.481732 (E_RNA) where: Base-Base interactions energy: -1345.002 where: short stacking energy: -578.365 Base-Backbone interact. energy: 1.355 local terms energy: -612.834611 where: bonds (distance) C4'-P energy: -129.586 bonds (distance) P-C4' energy: -129.813 flat angles C4'-P-C4' energy: -144.689 flat angles P-C4'-P energy: -87.542 tors. eta vs tors. theta energy: -121.205 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: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1366.414426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.414426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.414426 (E_RNA) where: Base-Base interactions energy: -866.726 where: short stacking energy: -381.714 Base-Backbone interact. energy: 1.489 local terms energy: -501.177744 where: bonds (distance) C4'-P energy: -143.725 bonds (distance) P-C4' energy: -136.711 flat angles C4'-P-C4' energy: -125.807 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: -28.745 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: 9 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3129.669045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.669045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.669045 (E_RNA) where: Base-Base interactions energy: -2265.701 where: short stacking energy: -960.761 Base-Backbone interact. energy: -1.362 local terms energy: -862.606837 where: bonds (distance) C4'-P energy: -160.171 bonds (distance) P-C4' energy: -149.509 flat angles C4'-P-C4' energy: -173.700 flat angles P-C4'-P energy: -117.813 tors. eta vs tors. theta energy: -261.414 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: 484 Temperature: 0.950000 Total energy: -2968.821585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.821585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.821585 (E_RNA) where: Base-Base interactions energy: -2133.201 where: short stacking energy: -897.603 Base-Backbone interact. energy: -0.692 local terms energy: -834.928952 where: bonds (distance) C4'-P energy: -153.130 bonds (distance) P-C4' energy: -154.886 flat angles C4'-P-C4' energy: -181.456 flat angles P-C4'-P energy: -116.959 tors. eta vs tors. theta energy: -228.497 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: 3, replica: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2904.687199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.687199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.687199 (E_RNA) where: Base-Base interactions energy: -2069.351 where: short stacking energy: -896.473 Base-Backbone interact. energy: -2.641 local terms energy: -832.695272 where: bonds (distance) C4'-P energy: -144.432 bonds (distance) P-C4' energy: -162.494 flat angles C4'-P-C4' energy: -174.440 flat angles P-C4'-P energy: -116.219 tors. eta vs tors. theta energy: -235.110 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: 4, replica: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2771.261829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.261829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.261829 (E_RNA) where: Base-Base interactions energy: -2018.354 where: short stacking energy: -806.415 Base-Backbone interact. energy: -3.771 local terms energy: -749.136623 where: bonds (distance) C4'-P energy: -138.788 bonds (distance) P-C4' energy: -147.393 flat angles C4'-P-C4' energy: -159.085 flat angles P-C4'-P energy: -106.498 tors. eta vs tors. theta energy: -197.374 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: 10 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2591.642556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.642556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.642556 (E_RNA) where: Base-Base interactions energy: -1833.243 where: short stacking energy: -744.321 Base-Backbone interact. energy: -3.374 local terms energy: -755.025947 where: bonds (distance) C4'-P energy: -149.432 bonds (distance) P-C4' energy: -155.250 flat angles C4'-P-C4' energy: -156.342 flat angles P-C4'-P energy: -94.887 tors. eta vs tors. theta energy: -199.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2570.651200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.651200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.651200 (E_RNA) where: Base-Base interactions energy: -1799.907 where: short stacking energy: -774.908 Base-Backbone interact. energy: 2.409 local terms energy: -773.153242 where: bonds (distance) C4'-P energy: -140.388 bonds (distance) P-C4' energy: -144.834 flat angles C4'-P-C4' energy: -174.113 flat angles P-C4'-P energy: -111.077 tors. eta vs tors. theta energy: -202.742 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: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2297.258712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.258712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.258712 (E_RNA) where: Base-Base interactions energy: -1641.032 where: short stacking energy: -722.389 Base-Backbone interact. energy: 0.363 local terms energy: -656.589591 where: bonds (distance) C4'-P energy: -111.371 bonds (distance) P-C4' energy: -133.588 flat angles C4'-P-C4' energy: -147.038 flat angles P-C4'-P energy: -87.508 tors. eta vs tors. theta energy: -177.085 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: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -2179.047961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.047961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.047961 (E_RNA) where: Base-Base interactions energy: -1557.365 where: short stacking energy: -691.354 Base-Backbone interact. energy: -1.384 local terms energy: -620.299017 where: bonds (distance) C4'-P energy: -128.853 bonds (distance) P-C4' energy: -97.822 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -90.163 tors. eta vs tors. theta energy: -158.321 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: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1933.131883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.131883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.131883 (E_RNA) where: Base-Base interactions energy: -1297.524 where: short stacking energy: -557.545 Base-Backbone interact. energy: -1.206 local terms energy: -634.401884 where: bonds (distance) C4'-P energy: -134.602 bonds (distance) P-C4' energy: -124.935 flat angles C4'-P-C4' energy: -162.206 flat angles P-C4'-P energy: -82.829 tors. eta vs tors. theta energy: -129.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1393.483428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.483428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.483428 (E_RNA) where: Base-Base interactions energy: -914.746 where: short stacking energy: -411.246 Base-Backbone interact. energy: 0.385 local terms energy: -479.123175 where: bonds (distance) C4'-P energy: -120.046 bonds (distance) P-C4' energy: -119.901 flat angles C4'-P-C4' energy: -129.647 flat angles P-C4'-P energy: -62.526 tors. eta vs tors. theta energy: -47.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3135.470460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.470460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.470460 (E_RNA) where: Base-Base interactions energy: -2237.457 where: short stacking energy: -942.158 Base-Backbone interact. energy: -3.618 local terms energy: -894.395705 where: bonds (distance) C4'-P energy: -141.200 bonds (distance) P-C4' energy: -160.725 flat angles C4'-P-C4' energy: -183.576 flat angles P-C4'-P energy: -142.612 tors. eta vs tors. theta energy: -266.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2996.307544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.307544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.307544 (E_RNA) where: Base-Base interactions energy: -2157.812 where: short stacking energy: -895.109 Base-Backbone interact. energy: -3.465 local terms energy: -835.030451 where: bonds (distance) C4'-P energy: -148.276 bonds (distance) P-C4' energy: -155.069 flat angles C4'-P-C4' energy: -180.308 flat angles P-C4'-P energy: -126.120 tors. eta vs tors. theta energy: -225.258 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: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2901.322107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.322107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.322107 (E_RNA) where: Base-Base interactions energy: -2069.355 where: short stacking energy: -840.609 Base-Backbone interact. energy: -3.293 local terms energy: -828.674289 where: bonds (distance) C4'-P energy: -146.055 bonds (distance) P-C4' energy: -148.919 flat angles C4'-P-C4' energy: -167.098 flat angles P-C4'-P energy: -124.117 tors. eta vs tors. theta energy: -242.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2765.739651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.739651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.739651 (E_RNA) where: Base-Base interactions energy: -2016.747 where: short stacking energy: -807.257 Base-Backbone interact. energy: -6.008 local terms energy: -742.984462 where: bonds (distance) C4'-P energy: -142.499 bonds (distance) P-C4' energy: -146.815 flat angles C4'-P-C4' energy: -160.670 flat angles P-C4'-P energy: -100.288 tors. eta vs tors. theta energy: -192.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2611.769199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.769199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.769199 (E_RNA) where: Base-Base interactions energy: -1830.910 where: short stacking energy: -752.334 Base-Backbone interact. energy: -5.719 local terms energy: -775.139878 where: bonds (distance) C4'-P energy: -133.957 bonds (distance) P-C4' energy: -158.389 flat angles C4'-P-C4' energy: -175.883 flat angles P-C4'-P energy: -116.241 tors. eta vs tors. theta energy: -190.669 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: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2551.171342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.171342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.171342 (E_RNA) where: Base-Base interactions energy: -1793.903 where: short stacking energy: -763.660 Base-Backbone interact. energy: -0.956 local terms energy: -756.312589 where: bonds (distance) C4'-P energy: -131.253 bonds (distance) P-C4' energy: -143.342 flat angles C4'-P-C4' energy: -150.701 flat angles P-C4'-P energy: -111.355 tors. eta vs tors. theta energy: -219.661 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: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2327.222967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.222967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.222967 (E_RNA) where: Base-Base interactions energy: -1648.314 where: short stacking energy: -729.654 Base-Backbone interact. energy: 3.184 local terms energy: -682.092672 where: bonds (distance) C4'-P energy: -128.525 bonds (distance) P-C4' energy: -115.195 flat angles C4'-P-C4' energy: -156.684 flat angles P-C4'-P energy: -91.701 tors. eta vs tors. theta energy: -189.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -2248.087836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.087836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.087836 (E_RNA) where: Base-Base interactions energy: -1603.965 where: short stacking energy: -641.960 Base-Backbone interact. energy: -4.607 local terms energy: -639.515743 where: bonds (distance) C4'-P energy: -122.114 bonds (distance) P-C4' energy: -133.239 flat angles C4'-P-C4' energy: -138.390 flat angles P-C4'-P energy: -75.273 tors. eta vs tors. theta energy: -170.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1954.698519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.698519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.698519 (E_RNA) where: Base-Base interactions energy: -1347.058 where: short stacking energy: -579.541 Base-Backbone interact. energy: -0.272 local terms energy: -607.368073 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -137.478 flat angles C4'-P-C4' energy: -143.556 flat angles P-C4'-P energy: -72.674 tors. eta vs tors. theta energy: -127.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1436.951256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.951256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.951256 (E_RNA) where: Base-Base interactions energy: -939.990 where: short stacking energy: -421.330 Base-Backbone interact. energy: 6.795 local terms energy: -503.756380 where: bonds (distance) C4'-P energy: -107.408 bonds (distance) P-C4' energy: -137.236 flat angles C4'-P-C4' energy: -127.221 flat angles P-C4'-P energy: -93.218 tors. eta vs tors. theta energy: -38.673 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: 1, replica: 9 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3125.907187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.907187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.907187 (E_RNA) where: Base-Base interactions energy: -2232.463 where: short stacking energy: -925.836 Base-Backbone interact. energy: -4.389 local terms energy: -889.055407 where: bonds (distance) C4'-P energy: -155.035 bonds (distance) P-C4' energy: -161.130 flat angles C4'-P-C4' energy: -177.557 flat angles P-C4'-P energy: -123.796 tors. eta vs tors. theta energy: -271.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2957.295905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.295905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.295905 (E_RNA) where: Base-Base interactions energy: -2130.863 where: short stacking energy: -888.828 Base-Backbone interact. energy: -6.161 local terms energy: -820.272009 where: bonds (distance) C4'-P energy: -155.349 bonds (distance) P-C4' energy: -147.598 flat angles C4'-P-C4' energy: -176.145 flat angles P-C4'-P energy: -120.527 tors. eta vs tors. theta energy: -220.652 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: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2951.797725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.797725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.797725 (E_RNA) where: Base-Base interactions energy: -2119.152 where: short stacking energy: -889.156 Base-Backbone interact. energy: -0.216 local terms energy: -832.430385 where: bonds (distance) C4'-P energy: -145.196 bonds (distance) P-C4' energy: -153.698 flat angles C4'-P-C4' energy: -179.402 flat angles P-C4'-P energy: -110.759 tors. eta vs tors. theta energy: -243.376 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: 4, replica: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2774.189125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.189125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.189125 (E_RNA) where: Base-Base interactions energy: -1960.150 where: short stacking energy: -779.201 Base-Backbone interact. energy: -4.683 local terms energy: -809.356391 where: bonds (distance) C4'-P energy: -169.910 bonds (distance) P-C4' energy: -138.872 flat angles C4'-P-C4' energy: -175.582 flat angles P-C4'-P energy: -120.872 tors. eta vs tors. theta energy: -204.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2583.113382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.113382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.113382 (E_RNA) where: Base-Base interactions energy: -1823.181 where: short stacking energy: -777.367 Base-Backbone interact. energy: -3.009 local terms energy: -756.923693 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -135.670 flat angles C4'-P-C4' energy: -162.476 flat angles P-C4'-P energy: -109.009 tors. eta vs tors. theta energy: -213.467 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: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2577.776805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.776805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.776805 (E_RNA) where: Base-Base interactions energy: -1836.400 where: short stacking energy: -768.779 Base-Backbone interact. energy: -6.751 local terms energy: -734.625266 where: bonds (distance) C4'-P energy: -153.212 bonds (distance) P-C4' energy: -113.775 flat angles C4'-P-C4' energy: -163.292 flat angles P-C4'-P energy: -107.233 tors. eta vs tors. theta energy: -197.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2356.490716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.490716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.490716 (E_RNA) where: Base-Base interactions energy: -1657.637 where: short stacking energy: -707.707 Base-Backbone interact. energy: -3.646 local terms energy: -695.208016 where: bonds (distance) C4'-P energy: -126.894 bonds (distance) P-C4' energy: -131.957 flat angles C4'-P-C4' energy: -158.397 flat angles P-C4'-P energy: -99.358 tors. eta vs tors. theta energy: -178.603 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: 486 Temperature: 1.250000 Total energy: -2251.545548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.545548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.545548 (E_RNA) where: Base-Base interactions energy: -1576.215 where: short stacking energy: -669.373 Base-Backbone interact. energy: -1.807 local terms energy: -673.524266 where: bonds (distance) C4'-P energy: -118.555 bonds (distance) P-C4' energy: -132.855 flat angles C4'-P-C4' energy: -154.871 flat angles P-C4'-P energy: -91.467 tors. eta vs tors. theta energy: -175.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1913.030078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.030078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.030078 (E_RNA) where: Base-Base interactions energy: -1281.937 where: short stacking energy: -582.322 Base-Backbone interact. energy: 1.444 local terms energy: -632.536830 where: bonds (distance) C4'-P energy: -119.638 bonds (distance) P-C4' energy: -152.976 flat angles C4'-P-C4' energy: -131.066 flat angles P-C4'-P energy: -89.877 tors. eta vs tors. theta energy: -138.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1533.042018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.042018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.042018 (E_RNA) where: Base-Base interactions energy: -1037.770 where: short stacking energy: -470.720 Base-Backbone interact. energy: -1.361 local terms energy: -493.910652 where: bonds (distance) C4'-P energy: -104.569 bonds (distance) P-C4' energy: -106.499 flat angles C4'-P-C4' energy: -127.333 flat angles P-C4'-P energy: -76.349 tors. eta vs tors. theta energy: -79.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3131.135406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.135406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.135406 (E_RNA) where: Base-Base interactions energy: -2233.818 where: short stacking energy: -940.002 Base-Backbone interact. energy: -5.426 local terms energy: -891.891321 where: bonds (distance) C4'-P energy: -157.166 bonds (distance) P-C4' energy: -160.379 flat angles C4'-P-C4' energy: -180.881 flat angles P-C4'-P energy: -132.448 tors. eta vs tors. theta energy: -261.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2987.868665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.868665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.868665 (E_RNA) where: Base-Base interactions energy: -2134.268 where: short stacking energy: -891.395 Base-Backbone interact. energy: 2.112 local terms energy: -855.712344 where: bonds (distance) C4'-P energy: -159.721 bonds (distance) P-C4' energy: -163.794 flat angles C4'-P-C4' energy: -190.340 flat angles P-C4'-P energy: -118.046 tors. eta vs tors. theta energy: -223.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2922.856663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.856663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.856663 (E_RNA) where: Base-Base interactions energy: -2105.857 where: short stacking energy: -869.917 Base-Backbone interact. energy: 0.321 local terms energy: -817.320805 where: bonds (distance) C4'-P energy: -140.883 bonds (distance) P-C4' energy: -151.722 flat angles C4'-P-C4' energy: -173.013 flat angles P-C4'-P energy: -121.560 tors. eta vs tors. theta energy: -230.143 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: 4, replica: 6 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2785.813309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.813309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.813309 (E_RNA) where: Base-Base interactions energy: -2011.217 where: short stacking energy: -813.082 Base-Backbone interact. energy: -5.447 local terms energy: -769.149661 where: bonds (distance) C4'-P energy: -115.650 bonds (distance) P-C4' energy: -161.039 flat angles C4'-P-C4' energy: -166.570 flat angles P-C4'-P energy: -114.042 tors. eta vs tors. theta energy: -211.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2595.027875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.027875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.027875 (E_RNA) where: Base-Base interactions energy: -1791.772 where: short stacking energy: -768.386 Base-Backbone interact. energy: 5.036 local terms energy: -808.291646 where: bonds (distance) C4'-P energy: -144.735 bonds (distance) P-C4' energy: -145.553 flat angles C4'-P-C4' energy: -186.462 flat angles P-C4'-P energy: -110.351 tors. eta vs tors. theta energy: -221.191 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: 10 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2546.004666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.004666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.004666 (E_RNA) where: Base-Base interactions energy: -1834.358 where: short stacking energy: -749.296 Base-Backbone interact. energy: -1.527 local terms energy: -710.120129 where: bonds (distance) C4'-P energy: -135.585 bonds (distance) P-C4' energy: -129.158 flat angles C4'-P-C4' energy: -164.962 flat angles P-C4'-P energy: -105.678 tors. eta vs tors. theta energy: -174.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2297.176533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.176533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.176533 (E_RNA) where: Base-Base interactions energy: -1625.324 where: short stacking energy: -691.330 Base-Backbone interact. energy: -0.561 local terms energy: -671.291059 where: bonds (distance) C4'-P energy: -127.303 bonds (distance) P-C4' energy: -128.455 flat angles C4'-P-C4' energy: -151.445 flat angles P-C4'-P energy: -87.883 tors. eta vs tors. theta energy: -176.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -2255.602013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.602013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.602013 (E_RNA) where: Base-Base interactions energy: -1587.236 where: short stacking energy: -689.630 Base-Backbone interact. energy: 0.288 local terms energy: -668.654044 where: bonds (distance) C4'-P energy: -113.519 bonds (distance) P-C4' energy: -136.781 flat angles C4'-P-C4' energy: -144.441 flat angles P-C4'-P energy: -107.042 tors. eta vs tors. theta energy: -166.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1880.232303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.232303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.232303 (E_RNA) where: Base-Base interactions energy: -1301.898 where: short stacking energy: -591.701 Base-Backbone interact. energy: -0.914 local terms energy: -577.420306 where: bonds (distance) C4'-P energy: -113.507 bonds (distance) P-C4' energy: -123.936 flat angles C4'-P-C4' energy: -138.825 flat angles P-C4'-P energy: -86.535 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: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -1526.482685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.482685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.482685 (E_RNA) where: Base-Base interactions energy: -996.856 where: short stacking energy: -442.832 Base-Backbone interact. energy: 0.624 local terms energy: -530.250589 where: bonds (distance) C4'-P energy: -128.392 bonds (distance) P-C4' energy: -126.214 flat angles C4'-P-C4' energy: -131.626 flat angles P-C4'-P energy: -68.581 tors. eta vs tors. theta energy: -75.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3133.076649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.076649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.076649 (E_RNA) where: Base-Base interactions energy: -2239.393 where: short stacking energy: -942.394 Base-Backbone interact. energy: -3.646 local terms energy: -890.038113 where: bonds (distance) C4'-P energy: -159.540 bonds (distance) P-C4' energy: -158.561 flat angles C4'-P-C4' energy: -180.978 flat angles P-C4'-P energy: -132.856 tors. eta vs tors. theta energy: -258.103 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: 488 Temperature: 0.950000 Total energy: -2954.460175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.460175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.460175 (E_RNA) where: Base-Base interactions energy: -2111.155 where: short stacking energy: -889.189 Base-Backbone interact. energy: -3.639 local terms energy: -839.667007 where: bonds (distance) C4'-P energy: -152.196 bonds (distance) P-C4' energy: -168.608 flat angles C4'-P-C4' energy: -178.175 flat angles P-C4'-P energy: -121.808 tors. eta vs tors. theta energy: -218.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2898.553561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.553561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.553561 (E_RNA) where: Base-Base interactions energy: -2073.283 where: short stacking energy: -858.170 Base-Backbone interact. energy: -4.855 local terms energy: -820.415432 where: bonds (distance) C4'-P energy: -132.892 bonds (distance) P-C4' energy: -153.794 flat angles C4'-P-C4' energy: -173.596 flat angles P-C4'-P energy: -125.557 tors. eta vs tors. theta energy: -234.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2822.599644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.599644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.599644 (E_RNA) where: Base-Base interactions energy: -2009.148 where: short stacking energy: -836.616 Base-Backbone interact. energy: -5.147 local terms energy: -808.304360 where: bonds (distance) C4'-P energy: -146.046 bonds (distance) P-C4' energy: -138.388 flat angles C4'-P-C4' energy: -176.430 flat angles P-C4'-P energy: -125.500 tors. eta vs tors. theta energy: -221.941 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: 488 Temperature: 1.100000 Total energy: -2578.296037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.296037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.296037 (E_RNA) where: Base-Base interactions energy: -1830.574 where: short stacking energy: -806.794 Base-Backbone interact. energy: -2.389 local terms energy: -745.333080 where: bonds (distance) C4'-P energy: -141.660 bonds (distance) P-C4' energy: -126.350 flat angles C4'-P-C4' energy: -150.610 flat angles P-C4'-P energy: -114.260 tors. eta vs tors. theta energy: -212.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2493.987307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.987307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.987307 (E_RNA) where: Base-Base interactions energy: -1791.560 where: short stacking energy: -743.289 Base-Backbone interact. energy: -3.677 local terms energy: -698.749979 where: bonds (distance) C4'-P energy: -122.923 bonds (distance) P-C4' energy: -121.304 flat angles C4'-P-C4' energy: -150.978 flat angles P-C4'-P energy: -112.866 tors. eta vs tors. theta energy: -190.680 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: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2380.812980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.812980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.812980 (E_RNA) where: Base-Base interactions energy: -1657.709 where: short stacking energy: -736.009 Base-Backbone interact. energy: -3.116 local terms energy: -719.988441 where: bonds (distance) C4'-P energy: -138.290 bonds (distance) P-C4' energy: -126.766 flat angles C4'-P-C4' energy: -150.634 flat angles P-C4'-P energy: -108.927 tors. eta vs tors. theta energy: -195.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -2241.000411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.000411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.000411 (E_RNA) where: Base-Base interactions energy: -1614.286 where: short stacking energy: -674.746 Base-Backbone interact. energy: -3.691 local terms energy: -623.023942 where: bonds (distance) C4'-P energy: -116.128 bonds (distance) P-C4' energy: -106.220 flat angles C4'-P-C4' energy: -148.521 flat angles P-C4'-P energy: -90.300 tors. eta vs tors. theta energy: -161.854 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: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1927.655438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.655438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.655438 (E_RNA) where: Base-Base interactions energy: -1332.104 where: short stacking energy: -601.579 Base-Backbone interact. energy: -1.128 local terms energy: -594.424215 where: bonds (distance) C4'-P energy: -102.583 bonds (distance) P-C4' energy: -138.051 flat angles C4'-P-C4' energy: -144.644 flat angles P-C4'-P energy: -85.855 tors. eta vs tors. theta energy: -123.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1548.548223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.548223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.548223 (E_RNA) where: Base-Base interactions energy: -1001.303 where: short stacking energy: -434.938 Base-Backbone interact. energy: -1.856 local terms energy: -545.388734 where: bonds (distance) C4'-P energy: -111.527 bonds (distance) P-C4' energy: -132.651 flat angles C4'-P-C4' energy: -142.265 flat angles P-C4'-P energy: -79.202 tors. eta vs tors. theta energy: -79.744 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: 1, replica: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3139.795286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.795286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.795286 (E_RNA) where: Base-Base interactions energy: -2219.839 where: short stacking energy: -966.713 Base-Backbone interact. energy: -1.348 local terms energy: -918.608630 where: bonds (distance) C4'-P energy: -164.594 bonds (distance) P-C4' energy: -167.554 flat angles C4'-P-C4' energy: -185.957 flat angles P-C4'-P energy: -131.478 tors. eta vs tors. theta energy: -269.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2948.159014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.159014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.159014 (E_RNA) where: Base-Base interactions energy: -2119.486 where: short stacking energy: -874.783 Base-Backbone interact. energy: -4.932 local terms energy: -823.741273 where: bonds (distance) C4'-P energy: -136.299 bonds (distance) P-C4' energy: -149.758 flat angles C4'-P-C4' energy: -175.166 flat angles P-C4'-P energy: -132.784 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: 3, replica: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2860.975335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.975335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.975335 (E_RNA) where: Base-Base interactions energy: -2065.841 where: short stacking energy: -863.598 Base-Backbone interact. energy: -1.326 local terms energy: -793.808472 where: bonds (distance) C4'-P energy: -136.130 bonds (distance) P-C4' energy: -138.616 flat angles C4'-P-C4' energy: -179.843 flat angles P-C4'-P energy: -108.590 tors. eta vs tors. theta energy: -230.630 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: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2792.285644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.285644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.285644 (E_RNA) where: Base-Base interactions energy: -2003.495 where: short stacking energy: -838.981 Base-Backbone interact. energy: -6.831 local terms energy: -781.960360 where: bonds (distance) C4'-P energy: -134.281 bonds (distance) P-C4' energy: -142.588 flat angles C4'-P-C4' energy: -170.759 flat angles P-C4'-P energy: -124.114 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: 7 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2585.459224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.459224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.459224 (E_RNA) where: Base-Base interactions energy: -1805.831 where: short stacking energy: -787.639 Base-Backbone interact. energy: -2.803 local terms energy: -776.824997 where: bonds (distance) C4'-P energy: -141.993 bonds (distance) P-C4' energy: -150.724 flat angles C4'-P-C4' energy: -165.800 flat angles P-C4'-P energy: -109.092 tors. eta vs tors. theta energy: -209.216 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: 6, replica: 5 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2447.115592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.115592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.115592 (E_RNA) where: Base-Base interactions energy: -1718.952 where: short stacking energy: -727.431 Base-Backbone interact. energy: -4.093 local terms energy: -724.070754 where: bonds (distance) C4'-P energy: -139.523 bonds (distance) P-C4' energy: -133.760 flat angles C4'-P-C4' energy: -162.474 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -184.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2474.940927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.940927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.940927 (E_RNA) where: Base-Base interactions energy: -1790.997 where: short stacking energy: -734.733 Base-Backbone interact. energy: 5.211 local terms energy: -689.154650 where: bonds (distance) C4'-P energy: -126.602 bonds (distance) P-C4' energy: -141.239 flat angles C4'-P-C4' energy: -135.385 flat angles P-C4'-P energy: -98.519 tors. eta vs tors. theta energy: -187.410 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: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -2212.767372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.767372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.767372 (E_RNA) where: Base-Base interactions energy: -1521.978 where: short stacking energy: -672.247 Base-Backbone interact. energy: -2.582 local terms energy: -688.207572 where: bonds (distance) C4'-P energy: -140.423 bonds (distance) P-C4' energy: -123.723 flat angles C4'-P-C4' energy: -140.058 flat angles P-C4'-P energy: -115.446 tors. eta vs tors. theta energy: -168.558 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: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1883.391788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.391788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.391788 (E_RNA) where: Base-Base interactions energy: -1300.981 where: short stacking energy: -573.495 Base-Backbone interact. energy: -2.265 local terms energy: -580.145352 where: bonds (distance) C4'-P energy: -124.659 bonds (distance) P-C4' energy: -120.674 flat angles C4'-P-C4' energy: -128.324 flat angles P-C4'-P energy: -71.916 tors. eta vs tors. theta energy: -134.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1539.898207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.898207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.898207 (E_RNA) where: Base-Base interactions energy: -1024.941 where: short stacking energy: -450.711 Base-Backbone interact. energy: 6.072 local terms energy: -521.028896 where: bonds (distance) C4'-P energy: -125.610 bonds (distance) P-C4' energy: -124.280 flat angles C4'-P-C4' energy: -120.891 flat angles P-C4'-P energy: -75.906 tors. eta vs tors. theta energy: -74.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3116.091750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.091750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.091750 (E_RNA) where: Base-Base interactions energy: -2217.140 where: short stacking energy: -956.398 Base-Backbone interact. energy: -4.536 local terms energy: -894.415331 where: bonds (distance) C4'-P energy: -167.703 bonds (distance) P-C4' energy: -153.242 flat angles C4'-P-C4' energy: -194.493 flat angles P-C4'-P energy: -116.821 tors. eta vs tors. theta energy: -262.156 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: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2968.116344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.116344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.116344 (E_RNA) where: Base-Base interactions energy: -2122.052 where: short stacking energy: -870.665 Base-Backbone interact. energy: -3.387 local terms energy: -842.676921 where: bonds (distance) C4'-P energy: -168.584 bonds (distance) P-C4' energy: -147.823 flat angles C4'-P-C4' energy: -178.939 flat angles P-C4'-P energy: -118.743 tors. eta vs tors. theta energy: -228.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2879.600463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.600463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.600463 (E_RNA) where: Base-Base interactions energy: -2057.346 where: short stacking energy: -864.226 Base-Backbone interact. energy: 0.550 local terms energy: -822.804065 where: bonds (distance) C4'-P energy: -137.909 bonds (distance) P-C4' energy: -161.908 flat angles C4'-P-C4' energy: -155.694 flat angles P-C4'-P energy: -133.159 tors. eta vs tors. theta energy: -234.134 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: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2825.055111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.055111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.055111 (E_RNA) where: Base-Base interactions energy: -2017.288 where: short stacking energy: -851.030 Base-Backbone interact. energy: 0.199 local terms energy: -807.965482 where: bonds (distance) C4'-P energy: -163.866 bonds (distance) P-C4' energy: -139.850 flat angles C4'-P-C4' energy: -171.535 flat angles P-C4'-P energy: -113.445 tors. eta vs tors. theta energy: -219.270 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: 7 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2575.547016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.547016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.547016 (E_RNA) where: Base-Base interactions energy: -1790.243 where: short stacking energy: -786.553 Base-Backbone interact. energy: -2.502 local terms energy: -782.801721 where: bonds (distance) C4'-P energy: -135.475 bonds (distance) P-C4' energy: -132.198 flat angles C4'-P-C4' energy: -178.383 flat angles P-C4'-P energy: -117.408 tors. eta vs tors. theta energy: -219.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2476.197895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.197895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.197895 (E_RNA) where: Base-Base interactions energy: -1732.141 where: short stacking energy: -752.460 Base-Backbone interact. energy: 3.981 local terms energy: -748.038206 where: bonds (distance) C4'-P energy: -150.947 bonds (distance) P-C4' energy: -143.636 flat angles C4'-P-C4' energy: -158.111 flat angles P-C4'-P energy: -98.209 tors. eta vs tors. theta energy: -197.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2452.873534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.873534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.873534 (E_RNA) where: Base-Base interactions energy: -1761.726 where: short stacking energy: -712.108 Base-Backbone interact. energy: 7.849 local terms energy: -698.996644 where: bonds (distance) C4'-P energy: -131.329 bonds (distance) P-C4' energy: -132.722 flat angles C4'-P-C4' energy: -157.340 flat angles P-C4'-P energy: -92.255 tors. eta vs tors. theta energy: -185.349 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: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -2227.945831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.945831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.945831 (E_RNA) where: Base-Base interactions energy: -1533.818 where: short stacking energy: -661.662 Base-Backbone interact. energy: -2.891 local terms energy: -691.236913 where: bonds (distance) C4'-P energy: -119.495 bonds (distance) P-C4' energy: -139.649 flat angles C4'-P-C4' energy: -149.346 flat angles P-C4'-P energy: -117.945 tors. eta vs tors. theta energy: -164.802 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: 8 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1930.587700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.587700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.587700 (E_RNA) where: Base-Base interactions energy: -1357.717 where: short stacking energy: -605.286 Base-Backbone interact. energy: -2.267 local terms energy: -570.604085 where: bonds (distance) C4'-P energy: -117.495 bonds (distance) P-C4' energy: -107.389 flat angles C4'-P-C4' energy: -128.385 flat angles P-C4'-P energy: -83.729 tors. eta vs tors. theta energy: -133.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1527.899870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.899870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.899870 (E_RNA) where: Base-Base interactions energy: -1003.448 where: short stacking energy: -444.963 Base-Backbone interact. energy: -5.200 local terms energy: -519.251911 where: bonds (distance) C4'-P energy: -111.809 bonds (distance) P-C4' energy: -126.454 flat angles C4'-P-C4' energy: -145.604 flat angles P-C4'-P energy: -65.732 tors. eta vs tors. theta energy: -69.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3136.839099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.839099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.839099 (E_RNA) where: Base-Base interactions energy: -2216.022 where: short stacking energy: -931.891 Base-Backbone interact. energy: -1.951 local terms energy: -918.866552 where: bonds (distance) C4'-P energy: -158.004 bonds (distance) P-C4' energy: -168.966 flat angles C4'-P-C4' energy: -188.754 flat angles P-C4'-P energy: -134.168 tors. eta vs tors. theta energy: -268.975 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: 491 Temperature: 0.950000 Total energy: -2969.062103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.062103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.062103 (E_RNA) where: Base-Base interactions energy: -2117.387 where: short stacking energy: -877.000 Base-Backbone interact. energy: -0.548 local terms energy: -851.126640 where: bonds (distance) C4'-P energy: -153.396 bonds (distance) P-C4' energy: -156.761 flat angles C4'-P-C4' energy: -185.771 flat angles P-C4'-P energy: -128.234 tors. eta vs tors. theta energy: -226.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2881.966228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.966228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.966228 (E_RNA) where: Base-Base interactions energy: -2061.905 where: short stacking energy: -864.422 Base-Backbone interact. energy: -3.008 local terms energy: -817.053488 where: bonds (distance) C4'-P energy: -132.187 bonds (distance) P-C4' energy: -160.277 flat angles C4'-P-C4' energy: -182.789 flat angles P-C4'-P energy: -111.118 tors. eta vs tors. theta energy: -230.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2771.802552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.802552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.802552 (E_RNA) where: Base-Base interactions energy: -1997.619 where: short stacking energy: -811.785 Base-Backbone interact. energy: 4.629 local terms energy: -778.812154 where: bonds (distance) C4'-P energy: -133.848 bonds (distance) P-C4' energy: -153.873 flat angles C4'-P-C4' energy: -163.231 flat angles P-C4'-P energy: -100.288 tors. eta vs tors. theta energy: -227.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2572.186173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.186173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.186173 (E_RNA) where: Base-Base interactions energy: -1805.519 where: short stacking energy: -788.406 Base-Backbone interact. energy: 2.105 local terms energy: -768.772492 where: bonds (distance) C4'-P energy: -135.742 bonds (distance) P-C4' energy: -130.076 flat angles C4'-P-C4' energy: -165.717 flat angles P-C4'-P energy: -108.345 tors. eta vs tors. theta energy: -228.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2469.082098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.082098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.082098 (E_RNA) where: Base-Base interactions energy: -1730.250 where: short stacking energy: -747.536 Base-Backbone interact. energy: -0.653 local terms energy: -738.179049 where: bonds (distance) C4'-P energy: -123.790 bonds (distance) P-C4' energy: -130.776 flat angles C4'-P-C4' energy: -167.801 flat angles P-C4'-P energy: -102.155 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: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2400.701110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.701110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.701110 (E_RNA) where: Base-Base interactions energy: -1697.744 where: short stacking energy: -695.967 Base-Backbone interact. energy: -4.125 local terms energy: -698.832464 where: bonds (distance) C4'-P energy: -125.552 bonds (distance) P-C4' energy: -136.232 flat angles C4'-P-C4' energy: -169.552 flat angles P-C4'-P energy: -90.679 tors. eta vs tors. theta energy: -176.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -2286.166601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.166601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.166601 (E_RNA) where: Base-Base interactions energy: -1584.532 where: short stacking energy: -689.426 Base-Backbone interact. energy: 3.682 local terms energy: -705.317330 where: bonds (distance) C4'-P energy: -147.329 bonds (distance) P-C4' energy: -137.485 flat angles C4'-P-C4' energy: -154.284 flat angles P-C4'-P energy: -102.507 tors. eta vs tors. theta energy: -163.711 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: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1957.629292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.629292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.629292 (E_RNA) where: Base-Base interactions energy: -1354.558 where: short stacking energy: -609.900 Base-Backbone interact. energy: -3.161 local terms energy: -599.910182 where: bonds (distance) C4'-P energy: -109.126 bonds (distance) P-C4' energy: -129.958 flat angles C4'-P-C4' energy: -138.571 flat angles P-C4'-P energy: -93.590 tors. eta vs tors. theta energy: -128.665 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: 491 Temperature: 1.350000 Total energy: -1511.520923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.520923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.520923 (E_RNA) where: Base-Base interactions energy: -997.592 where: short stacking energy: -426.805 Base-Backbone interact. energy: -4.367 local terms energy: -509.562184 where: bonds (distance) C4'-P energy: -112.716 bonds (distance) P-C4' energy: -129.380 flat angles C4'-P-C4' energy: -134.691 flat angles P-C4'-P energy: -75.549 tors. eta vs tors. theta energy: -57.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3142.511588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.511588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.511588 (E_RNA) where: Base-Base interactions energy: -2203.150 where: short stacking energy: -932.407 Base-Backbone interact. energy: -3.072 local terms energy: -936.290181 where: bonds (distance) C4'-P energy: -170.441 bonds (distance) P-C4' energy: -169.995 flat angles C4'-P-C4' energy: -195.026 flat angles P-C4'-P energy: -132.339 tors. eta vs tors. theta energy: -268.489 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: 2 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2980.581516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.581516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.581516 (E_RNA) where: Base-Base interactions energy: -2161.368 where: short stacking energy: -871.342 Base-Backbone interact. energy: -1.897 local terms energy: -817.317010 where: bonds (distance) C4'-P energy: -152.024 bonds (distance) P-C4' energy: -149.048 flat angles C4'-P-C4' energy: -174.113 flat angles P-C4'-P energy: -113.592 tors. eta vs tors. theta energy: -228.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2904.341647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.341647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.341647 (E_RNA) where: Base-Base interactions energy: -2058.523 where: short stacking energy: -866.929 Base-Backbone interact. energy: -0.907 local terms energy: -844.912010 where: bonds (distance) C4'-P energy: -150.505 bonds (distance) P-C4' energy: -153.659 flat angles C4'-P-C4' energy: -176.119 flat angles P-C4'-P energy: -128.160 tors. eta vs tors. theta energy: -236.469 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: 4, replica: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2757.572336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.572336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.572336 (E_RNA) where: Base-Base interactions energy: -1970.593 where: short stacking energy: -821.014 Base-Backbone interact. energy: 4.465 local terms energy: -791.444274 where: bonds (distance) C4'-P energy: -135.223 bonds (distance) P-C4' energy: -139.919 flat angles C4'-P-C4' energy: -174.845 flat angles P-C4'-P energy: -110.461 tors. eta vs tors. theta energy: -230.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2636.757521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.757521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.757521 (E_RNA) where: Base-Base interactions energy: -1854.314 where: short stacking energy: -795.006 Base-Backbone interact. energy: -3.136 local terms energy: -779.308226 where: bonds (distance) C4'-P energy: -153.589 bonds (distance) P-C4' energy: -147.641 flat angles C4'-P-C4' energy: -165.824 flat angles P-C4'-P energy: -95.773 tors. eta vs tors. theta energy: -216.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2453.116121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.116121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.116121 (E_RNA) where: Base-Base interactions energy: -1741.943 where: short stacking energy: -748.188 Base-Backbone interact. energy: -3.983 local terms energy: -707.190506 where: bonds (distance) C4'-P energy: -135.679 bonds (distance) P-C4' energy: -120.075 flat angles C4'-P-C4' energy: -163.750 flat angles P-C4'-P energy: -89.688 tors. eta vs tors. theta energy: -197.999 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: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2441.557578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.557578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.557578 (E_RNA) where: Base-Base interactions energy: -1747.384 where: short stacking energy: -709.290 Base-Backbone interact. energy: -4.389 local terms energy: -689.784565 where: bonds (distance) C4'-P energy: -117.061 bonds (distance) P-C4' energy: -139.798 flat angles C4'-P-C4' energy: -159.232 flat angles P-C4'-P energy: -94.017 tors. eta vs tors. theta energy: -179.676 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: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -2275.587394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.587394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.587394 (E_RNA) where: Base-Base interactions energy: -1607.649 where: short stacking energy: -697.620 Base-Backbone interact. energy: -4.250 local terms energy: -663.688465 where: bonds (distance) C4'-P energy: -118.156 bonds (distance) P-C4' energy: -132.984 flat angles C4'-P-C4' energy: -142.818 flat angles P-C4'-P energy: -100.512 tors. eta vs tors. theta energy: -169.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1907.799013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.799013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.799013 (E_RNA) where: Base-Base interactions energy: -1303.858 where: short stacking energy: -543.395 Base-Backbone interact. energy: -1.608 local terms energy: -602.333574 where: bonds (distance) C4'-P energy: -123.025 bonds (distance) P-C4' energy: -137.465 flat angles C4'-P-C4' energy: -136.010 flat angles P-C4'-P energy: -82.855 tors. eta vs tors. theta energy: -122.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1453.190721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.190721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.190721 (E_RNA) where: Base-Base interactions energy: -958.188 where: short stacking energy: -422.687 Base-Backbone interact. energy: 6.281 local terms energy: -501.283624 where: bonds (distance) C4'-P energy: -115.103 bonds (distance) P-C4' energy: -139.252 flat angles C4'-P-C4' energy: -118.799 flat angles P-C4'-P energy: -72.952 tors. eta vs tors. theta energy: -55.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3114.908841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.908841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.908841 (E_RNA) where: Base-Base interactions energy: -2233.805 where: short stacking energy: -939.357 Base-Backbone interact. energy: -1.373 local terms energy: -879.730674 where: bonds (distance) C4'-P energy: -147.487 bonds (distance) P-C4' energy: -156.136 flat angles C4'-P-C4' energy: -182.132 flat angles P-C4'-P energy: -131.279 tors. eta vs tors. theta energy: -262.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2983.294439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.294439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.294439 (E_RNA) where: Base-Base interactions energy: -2097.360 where: short stacking energy: -880.733 Base-Backbone interact. energy: -3.194 local terms energy: -882.739928 where: bonds (distance) C4'-P energy: -160.493 bonds (distance) P-C4' energy: -165.119 flat angles C4'-P-C4' energy: -190.946 flat angles P-C4'-P energy: -129.631 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: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2921.855531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.855531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.855531 (E_RNA) where: Base-Base interactions energy: -2037.994 where: short stacking energy: -870.202 Base-Backbone interact. energy: -5.209 local terms energy: -878.652107 where: bonds (distance) C4'-P energy: -163.719 bonds (distance) P-C4' energy: -154.487 flat angles C4'-P-C4' energy: -180.169 flat angles P-C4'-P energy: -134.153 tors. eta vs tors. theta energy: -246.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2761.717810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.717810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.717810 (E_RNA) where: Base-Base interactions energy: -1995.004 where: short stacking energy: -802.308 Base-Backbone interact. energy: 2.507 local terms energy: -769.220342 where: bonds (distance) C4'-P energy: -142.929 bonds (distance) P-C4' energy: -144.409 flat angles C4'-P-C4' energy: -167.377 flat angles P-C4'-P energy: -112.631 tors. eta vs tors. theta energy: -201.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2616.655504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.655504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.655504 (E_RNA) where: Base-Base interactions energy: -1842.083 where: short stacking energy: -827.478 Base-Backbone interact. energy: 2.267 local terms energy: -776.839988 where: bonds (distance) C4'-P energy: -139.829 bonds (distance) P-C4' energy: -149.452 flat angles C4'-P-C4' energy: -164.818 flat angles P-C4'-P energy: -107.905 tors. eta vs tors. theta energy: -214.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2536.500569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.500569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.500569 (E_RNA) where: Base-Base interactions energy: -1805.355 where: short stacking energy: -777.277 Base-Backbone interact. energy: 6.459 local terms energy: -737.605111 where: bonds (distance) C4'-P energy: -142.787 bonds (distance) P-C4' energy: -118.638 flat angles C4'-P-C4' energy: -160.079 flat angles P-C4'-P energy: -119.926 tors. eta vs tors. theta energy: -196.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -2361.994559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.994559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.994559 (E_RNA) where: Base-Base interactions energy: -1667.349 where: short stacking energy: -729.772 Base-Backbone interact. energy: -3.191 local terms energy: -691.453907 where: bonds (distance) C4'-P energy: -139.012 bonds (distance) P-C4' energy: -104.820 flat angles C4'-P-C4' energy: -159.954 flat angles P-C4'-P energy: -88.137 tors. eta vs tors. theta energy: -199.532 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: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -2240.592212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.592212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.592212 (E_RNA) where: Base-Base interactions energy: -1603.496 where: short stacking energy: -691.176 Base-Backbone interact. energy: 2.296 local terms energy: -639.392501 where: bonds (distance) C4'-P energy: -115.630 bonds (distance) P-C4' energy: -103.697 flat angles C4'-P-C4' energy: -158.998 flat angles P-C4'-P energy: -92.261 tors. eta vs tors. theta energy: -168.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1956.245685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.245685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.245685 (E_RNA) where: Base-Base interactions energy: -1361.225 where: short stacking energy: -590.873 Base-Backbone interact. energy: -0.970 local terms energy: -594.050732 where: bonds (distance) C4'-P energy: -112.854 bonds (distance) P-C4' energy: -124.886 flat angles C4'-P-C4' energy: -144.259 flat angles P-C4'-P energy: -80.509 tors. eta vs tors. theta energy: -131.543 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: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1555.420710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.420710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.420710 (E_RNA) where: Base-Base interactions energy: -1022.058 where: short stacking energy: -454.674 Base-Backbone interact. energy: -3.371 local terms energy: -529.992252 where: bonds (distance) C4'-P energy: -118.778 bonds (distance) P-C4' energy: -125.138 flat angles C4'-P-C4' energy: -152.124 flat angles P-C4'-P energy: -67.086 tors. eta vs tors. theta energy: -66.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3099.107256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.107256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.107256 (E_RNA) where: Base-Base interactions energy: -2201.172 where: short stacking energy: -934.044 Base-Backbone interact. energy: -3.406 local terms energy: -894.528886 where: bonds (distance) C4'-P energy: -152.755 bonds (distance) P-C4' energy: -169.827 flat angles C4'-P-C4' energy: -190.967 flat angles P-C4'-P energy: -117.101 tors. eta vs tors. theta energy: -263.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2971.730250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.730250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.730250 (E_RNA) where: Base-Base interactions energy: -2114.299 where: short stacking energy: -862.538 Base-Backbone interact. energy: -5.355 local terms energy: -852.075723 where: bonds (distance) C4'-P energy: -162.004 bonds (distance) P-C4' energy: -159.082 flat angles C4'-P-C4' energy: -172.887 flat angles P-C4'-P energy: -136.488 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: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2907.131554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.131554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.131554 (E_RNA) where: Base-Base interactions energy: -2045.500 where: short stacking energy: -864.817 Base-Backbone interact. energy: -8.281 local terms energy: -853.350359 where: bonds (distance) C4'-P energy: -127.772 bonds (distance) P-C4' energy: -173.585 flat angles C4'-P-C4' energy: -189.276 flat angles P-C4'-P energy: -120.422 tors. eta vs tors. theta energy: -242.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2834.901360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.901360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.901360 (E_RNA) where: Base-Base interactions energy: -2033.102 where: short stacking energy: -845.279 Base-Backbone interact. energy: -1.517 local terms energy: -800.282853 where: bonds (distance) C4'-P energy: -154.360 bonds (distance) P-C4' energy: -151.187 flat angles C4'-P-C4' energy: -170.254 flat angles P-C4'-P energy: -105.351 tors. eta vs tors. theta energy: -219.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2632.590951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.590951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.590951 (E_RNA) where: Base-Base interactions energy: -1844.710 where: short stacking energy: -791.725 Base-Backbone interact. energy: 0.404 local terms energy: -788.284486 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -155.293 flat angles C4'-P-C4' energy: -153.756 flat angles P-C4'-P energy: -116.218 tors. eta vs tors. theta energy: -210.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2536.569194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.569194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.569194 (E_RNA) where: Base-Base interactions energy: -1782.176 where: short stacking energy: -750.220 Base-Backbone interact. energy: -0.813 local terms energy: -753.581136 where: bonds (distance) C4'-P energy: -141.503 bonds (distance) P-C4' energy: -136.838 flat angles C4'-P-C4' energy: -164.839 flat angles P-C4'-P energy: -111.747 tors. eta vs tors. theta energy: -198.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2304.760577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.760577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.760577 (E_RNA) where: Base-Base interactions energy: -1594.700 where: short stacking energy: -711.722 Base-Backbone interact. energy: -1.700 local terms energy: -708.360375 where: bonds (distance) C4'-P energy: -136.652 bonds (distance) P-C4' energy: -135.419 flat angles C4'-P-C4' energy: -166.816 flat angles P-C4'-P energy: -91.247 tors. eta vs tors. theta energy: -178.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -2262.199377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.199377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.199377 (E_RNA) where: Base-Base interactions energy: -1592.593 where: short stacking energy: -682.576 Base-Backbone interact. energy: -5.601 local terms energy: -664.005010 where: bonds (distance) C4'-P energy: -133.974 bonds (distance) P-C4' energy: -136.506 flat angles C4'-P-C4' energy: -147.858 flat angles P-C4'-P energy: -83.474 tors. eta vs tors. theta energy: -162.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1935.803123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.803123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.803123 (E_RNA) where: Base-Base interactions energy: -1345.465 where: short stacking energy: -587.498 Base-Backbone interact. energy: 1.875 local terms energy: -592.212707 where: bonds (distance) C4'-P energy: -108.424 bonds (distance) P-C4' energy: -120.321 flat angles C4'-P-C4' energy: -150.818 flat angles P-C4'-P energy: -82.371 tors. eta vs tors. theta energy: -130.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1481.648241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.648241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.648241 (E_RNA) where: Base-Base interactions energy: -991.154 where: short stacking energy: -442.937 Base-Backbone interact. energy: 2.197 local terms energy: -492.691663 where: bonds (distance) C4'-P energy: -107.377 bonds (distance) P-C4' energy: -125.568 flat angles C4'-P-C4' energy: -109.564 flat angles P-C4'-P energy: -87.105 tors. eta vs tors. theta energy: -63.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3131.436015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.436015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.436015 (E_RNA) where: Base-Base interactions energy: -2220.077 where: short stacking energy: -936.389 Base-Backbone interact. energy: -4.531 local terms energy: -906.828536 where: bonds (distance) C4'-P energy: -158.430 bonds (distance) P-C4' energy: -164.121 flat angles C4'-P-C4' energy: -177.123 flat angles P-C4'-P energy: -138.875 tors. eta vs tors. theta energy: -268.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2947.640685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.640685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.640685 (E_RNA) where: Base-Base interactions energy: -2102.021 where: short stacking energy: -882.821 Base-Backbone interact. energy: -3.674 local terms energy: -841.945644 where: bonds (distance) C4'-P energy: -148.854 bonds (distance) P-C4' energy: -164.279 flat angles C4'-P-C4' energy: -184.249 flat angles P-C4'-P energy: -118.812 tors. eta vs tors. theta energy: -225.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2895.004527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.004527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.004527 (E_RNA) where: Base-Base interactions energy: -2058.829 where: short stacking energy: -870.145 Base-Backbone interact. energy: -6.553 local terms energy: -829.622606 where: bonds (distance) C4'-P energy: -154.895 bonds (distance) P-C4' energy: -153.586 flat angles C4'-P-C4' energy: -181.875 flat angles P-C4'-P energy: -120.702 tors. eta vs tors. theta energy: -218.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2770.447633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.447633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.447633 (E_RNA) where: Base-Base interactions energy: -1975.990 where: short stacking energy: -828.036 Base-Backbone interact. energy: -5.770 local terms energy: -788.688346 where: bonds (distance) C4'-P energy: -134.987 bonds (distance) P-C4' energy: -145.119 flat angles C4'-P-C4' energy: -178.603 flat angles P-C4'-P energy: -109.318 tors. eta vs tors. theta energy: -220.662 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: 7 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2583.106029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.106029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.106029 (E_RNA) where: Base-Base interactions energy: -1829.079 where: short stacking energy: -778.339 Base-Backbone interact. energy: -2.605 local terms energy: -751.421583 where: bonds (distance) C4'-P energy: -138.351 bonds (distance) P-C4' energy: -132.082 flat angles C4'-P-C4' energy: -168.969 flat angles P-C4'-P energy: -111.426 tors. eta vs tors. theta energy: -200.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2582.170231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.170231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.170231 (E_RNA) where: Base-Base interactions energy: -1842.708 where: short stacking energy: -724.770 Base-Backbone interact. energy: -3.039 local terms energy: -736.423159 where: bonds (distance) C4'-P energy: -134.814 bonds (distance) P-C4' energy: -131.853 flat angles C4'-P-C4' energy: -163.486 flat angles P-C4'-P energy: -118.620 tors. eta vs tors. theta energy: -187.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2347.091136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.091136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.091136 (E_RNA) where: Base-Base interactions energy: -1643.752 where: short stacking energy: -708.249 Base-Backbone interact. energy: -0.553 local terms energy: -702.785523 where: bonds (distance) C4'-P energy: -139.658 bonds (distance) P-C4' energy: -131.313 flat angles C4'-P-C4' energy: -143.411 flat angles P-C4'-P energy: -102.424 tors. eta vs tors. theta energy: -185.979 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: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -2239.139334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.139334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.139334 (E_RNA) where: Base-Base interactions energy: -1589.577 where: short stacking energy: -716.225 Base-Backbone interact. energy: 1.280 local terms energy: -650.841914 where: bonds (distance) C4'-P energy: -113.138 bonds (distance) P-C4' energy: -126.211 flat angles C4'-P-C4' energy: -131.304 flat angles P-C4'-P energy: -104.052 tors. eta vs tors. theta energy: -176.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1949.706833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.706833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.706833 (E_RNA) where: Base-Base interactions energy: -1337.977 where: short stacking energy: -610.159 Base-Backbone interact. energy: -1.219 local terms energy: -610.511230 where: bonds (distance) C4'-P energy: -121.402 bonds (distance) P-C4' energy: -153.810 flat angles C4'-P-C4' energy: -134.203 flat angles P-C4'-P energy: -60.030 tors. eta vs tors. theta energy: -141.066 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: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1494.399148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.399148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.399148 (E_RNA) where: Base-Base interactions energy: -1001.975 where: short stacking energy: -459.878 Base-Backbone interact. energy: -2.457 local terms energy: -489.967956 where: bonds (distance) C4'-P energy: -84.735 bonds (distance) P-C4' energy: -133.169 flat angles C4'-P-C4' energy: -129.555 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -79.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3120.208423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.208423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.208423 (E_RNA) where: Base-Base interactions energy: -2218.756 where: short stacking energy: -947.603 Base-Backbone interact. energy: 0.667 local terms energy: -902.120112 where: bonds (distance) C4'-P energy: -148.107 bonds (distance) P-C4' energy: -171.772 flat angles C4'-P-C4' energy: -185.169 flat angles P-C4'-P energy: -128.988 tors. eta vs tors. theta energy: -268.083 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: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2935.542056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.542056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.542056 (E_RNA) where: Base-Base interactions energy: -2101.562 where: short stacking energy: -876.198 Base-Backbone interact. energy: -6.370 local terms energy: -827.609930 where: bonds (distance) C4'-P energy: -144.572 bonds (distance) P-C4' energy: -154.171 flat angles C4'-P-C4' energy: -176.923 flat angles P-C4'-P energy: -119.872 tors. eta vs tors. theta energy: -232.072 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: 3, replica: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2887.328647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.328647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.328647 (E_RNA) where: Base-Base interactions energy: -2069.193 where: short stacking energy: -843.825 Base-Backbone interact. energy: -1.970 local terms energy: -816.165112 where: bonds (distance) C4'-P energy: -157.947 bonds (distance) P-C4' energy: -152.232 flat angles C4'-P-C4' energy: -164.220 flat angles P-C4'-P energy: -117.855 tors. eta vs tors. theta energy: -223.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2804.861978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.861978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.861978 (E_RNA) where: Base-Base interactions energy: -2012.026 where: short stacking energy: -819.050 Base-Backbone interact. energy: 7.980 local terms energy: -800.816452 where: bonds (distance) C4'-P energy: -144.371 bonds (distance) P-C4' energy: -140.424 flat angles C4'-P-C4' energy: -185.076 flat angles P-C4'-P energy: -111.778 tors. eta vs tors. theta energy: -219.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2611.597055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.597055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.597055 (E_RNA) where: Base-Base interactions energy: -1833.655 where: short stacking energy: -772.266 Base-Backbone interact. energy: -2.765 local terms energy: -775.176540 where: bonds (distance) C4'-P energy: -132.539 bonds (distance) P-C4' energy: -148.677 flat angles C4'-P-C4' energy: -168.427 flat angles P-C4'-P energy: -108.720 tors. eta vs tors. theta energy: -216.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2515.166800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.166800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.166800 (E_RNA) where: Base-Base interactions energy: -1841.636 where: short stacking energy: -757.546 Base-Backbone interact. energy: -3.347 local terms energy: -670.184209 where: bonds (distance) C4'-P energy: -124.855 bonds (distance) P-C4' energy: -118.666 flat angles C4'-P-C4' energy: -156.327 flat angles P-C4'-P energy: -80.257 tors. eta vs tors. theta energy: -190.080 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: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2341.024695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.024695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.024695 (E_RNA) where: Base-Base interactions energy: -1644.594 where: short stacking energy: -678.131 Base-Backbone interact. energy: -2.655 local terms energy: -693.775871 where: bonds (distance) C4'-P energy: -142.884 bonds (distance) P-C4' energy: -133.589 flat angles C4'-P-C4' energy: -149.188 flat angles P-C4'-P energy: -91.687 tors. eta vs tors. theta energy: -176.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -2157.241696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.241696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.241696 (E_RNA) where: Base-Base interactions energy: -1535.608 where: short stacking energy: -653.903 Base-Backbone interact. energy: -2.342 local terms energy: -619.291662 where: bonds (distance) C4'-P energy: -102.788 bonds (distance) P-C4' energy: -112.610 flat angles C4'-P-C4' energy: -153.188 flat angles P-C4'-P energy: -93.606 tors. eta vs tors. theta energy: -157.100 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: 9, replica: 8 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1959.016589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.016589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.016589 (E_RNA) where: Base-Base interactions energy: -1372.460 where: short stacking energy: -585.314 Base-Backbone interact. energy: 3.729 local terms energy: -590.285616 where: bonds (distance) C4'-P energy: -124.835 bonds (distance) P-C4' energy: -128.699 flat angles C4'-P-C4' energy: -134.585 flat angles P-C4'-P energy: -75.287 tors. eta vs tors. theta energy: -126.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1498.298044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.298044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.298044 (E_RNA) where: Base-Base interactions energy: -997.358 where: short stacking energy: -465.223 Base-Backbone interact. energy: 5.938 local terms energy: -506.878585 where: bonds (distance) C4'-P energy: -110.834 bonds (distance) P-C4' energy: -125.826 flat angles C4'-P-C4' energy: -145.654 flat angles P-C4'-P energy: -52.678 tors. eta vs tors. theta energy: -71.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -3121.548609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.548609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.548609 (E_RNA) where: Base-Base interactions energy: -2220.949 where: short stacking energy: -921.704 Base-Backbone interact. energy: -4.814 local terms energy: -895.785647 where: bonds (distance) C4'-P energy: -151.586 bonds (distance) P-C4' energy: -156.643 flat angles C4'-P-C4' energy: -184.030 flat angles P-C4'-P energy: -133.168 tors. eta vs tors. theta energy: -270.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2965.194896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.194896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.194896 (E_RNA) where: Base-Base interactions energy: -2105.009 where: short stacking energy: -883.242 Base-Backbone interact. energy: -1.929 local terms energy: -858.256644 where: bonds (distance) C4'-P energy: -142.400 bonds (distance) P-C4' energy: -160.048 flat angles C4'-P-C4' energy: -190.419 flat angles P-C4'-P energy: -127.823 tors. eta vs tors. theta energy: -237.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2870.207079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.207079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.207079 (E_RNA) where: Base-Base interactions energy: -2032.729 where: short stacking energy: -821.450 Base-Backbone interact. energy: -0.035 local terms energy: -837.442450 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -154.756 flat angles C4'-P-C4' energy: -190.656 flat angles P-C4'-P energy: -125.186 tors. eta vs tors. theta energy: -229.685 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: 6 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2755.235925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.235925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.235925 (E_RNA) where: Base-Base interactions energy: -1958.831 where: short stacking energy: -785.757 Base-Backbone interact. energy: -5.183 local terms energy: -791.222151 where: bonds (distance) C4'-P energy: -122.612 bonds (distance) P-C4' energy: -174.549 flat angles C4'-P-C4' energy: -178.226 flat angles P-C4'-P energy: -112.898 tors. eta vs tors. theta energy: -202.937 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: 7 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2587.122298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.122298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.122298 (E_RNA) where: Base-Base interactions energy: -1821.248 where: short stacking energy: -782.994 Base-Backbone interact. energy: -1.041 local terms energy: -764.833062 where: bonds (distance) C4'-P energy: -148.164 bonds (distance) P-C4' energy: -155.000 flat angles C4'-P-C4' energy: -159.892 flat angles P-C4'-P energy: -102.302 tors. eta vs tors. theta energy: -199.476 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: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2479.062380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.062380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.062380 (E_RNA) where: Base-Base interactions energy: -1747.019 where: short stacking energy: -710.389 Base-Backbone interact. energy: 2.281 local terms energy: -734.324616 where: bonds (distance) C4'-P energy: -130.622 bonds (distance) P-C4' energy: -147.910 flat angles C4'-P-C4' energy: -171.503 flat angles P-C4'-P energy: -103.272 tors. eta vs tors. theta energy: -181.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -2347.267446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.267446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.267446 (E_RNA) where: Base-Base interactions energy: -1659.859 where: short stacking energy: -752.760 Base-Backbone interact. energy: -0.607 local terms energy: -686.801592 where: bonds (distance) C4'-P energy: -126.221 bonds (distance) P-C4' energy: -129.485 flat angles C4'-P-C4' energy: -157.962 flat angles P-C4'-P energy: -82.063 tors. eta vs tors. theta energy: -191.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -2115.397109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.397109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.397109 (E_RNA) where: Base-Base interactions energy: -1480.193 where: short stacking energy: -637.011 Base-Backbone interact. energy: 2.322 local terms energy: -637.525413 where: bonds (distance) C4'-P energy: -112.220 bonds (distance) P-C4' energy: -125.856 flat angles C4'-P-C4' energy: -146.589 flat angles P-C4'-P energy: -110.475 tors. eta vs tors. theta energy: -142.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1943.089992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.089992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.089992 (E_RNA) where: Base-Base interactions energy: -1351.770 where: short stacking energy: -568.322 Base-Backbone interact. energy: -2.037 local terms energy: -589.282630 where: bonds (distance) C4'-P energy: -117.324 bonds (distance) P-C4' energy: -122.418 flat angles C4'-P-C4' energy: -150.206 flat angles P-C4'-P energy: -78.113 tors. eta vs tors. theta energy: -121.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1460.004500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.004500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.004500 (E_RNA) where: Base-Base interactions energy: -993.942 where: short stacking energy: -438.854 Base-Backbone interact. energy: 3.824 local terms energy: -469.886920 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -121.097 flat angles C4'-P-C4' energy: -111.042 flat angles P-C4'-P energy: -78.714 tors. eta vs tors. theta energy: -44.960 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: 498 Temperature: 0.900000 Total energy: -3126.135786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.135786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.135786 (E_RNA) where: Base-Base interactions energy: -2222.275 where: short stacking energy: -939.853 Base-Backbone interact. energy: -2.147 local terms energy: -901.713853 where: bonds (distance) C4'-P energy: -152.523 bonds (distance) P-C4' energy: -165.364 flat angles C4'-P-C4' energy: -194.180 flat angles P-C4'-P energy: -131.145 tors. eta vs tors. theta energy: -258.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2945.650546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.650546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.650546 (E_RNA) where: Base-Base interactions energy: -2124.740 where: short stacking energy: -892.991 Base-Backbone interact. energy: -6.463 local terms energy: -814.447739 where: bonds (distance) C4'-P energy: -130.181 bonds (distance) P-C4' energy: -157.419 flat angles C4'-P-C4' energy: -179.466 flat angles P-C4'-P energy: -123.089 tors. eta vs tors. theta energy: -224.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2873.998052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.998052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.998052 (E_RNA) where: Base-Base interactions energy: -2042.785 where: short stacking energy: -830.472 Base-Backbone interact. energy: -1.698 local terms energy: -829.514897 where: bonds (distance) C4'-P energy: -149.797 bonds (distance) P-C4' energy: -167.550 flat angles C4'-P-C4' energy: -171.006 flat angles P-C4'-P energy: -116.115 tors. eta vs tors. theta energy: -225.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2768.251979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.251979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.251979 (E_RNA) where: Base-Base interactions energy: -1974.382 where: short stacking energy: -813.028 Base-Backbone interact. energy: -3.114 local terms energy: -790.756227 where: bonds (distance) C4'-P energy: -148.729 bonds (distance) P-C4' energy: -145.058 flat angles C4'-P-C4' energy: -169.574 flat angles P-C4'-P energy: -111.593 tors. eta vs tors. theta energy: -215.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2594.541209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.541209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.541209 (E_RNA) where: Base-Base interactions energy: -1833.325 where: short stacking energy: -808.275 Base-Backbone interact. energy: -1.559 local terms energy: -759.657841 where: bonds (distance) C4'-P energy: -141.449 bonds (distance) P-C4' energy: -123.744 flat angles C4'-P-C4' energy: -160.485 flat angles P-C4'-P energy: -118.310 tors. eta vs tors. theta energy: -215.669 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: 10 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2460.498641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.498641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.498641 (E_RNA) where: Base-Base interactions energy: -1759.260 where: short stacking energy: -720.098 Base-Backbone interact. energy: -2.914 local terms energy: -698.325280 where: bonds (distance) C4'-P energy: -124.310 bonds (distance) P-C4' energy: -152.133 flat angles C4'-P-C4' energy: -160.205 flat angles P-C4'-P energy: -90.352 tors. eta vs tors. theta energy: -171.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -2324.221755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.221755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.221755 (E_RNA) where: Base-Base interactions energy: -1601.680 where: short stacking energy: -715.275 Base-Backbone interact. energy: 2.826 local terms energy: -725.367672 where: bonds (distance) C4'-P energy: -125.966 bonds (distance) P-C4' energy: -138.432 flat angles C4'-P-C4' energy: -161.959 flat angles P-C4'-P energy: -103.659 tors. eta vs tors. theta energy: -195.352 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: 1 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -2177.378844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.378844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.378844 (E_RNA) where: Base-Base interactions energy: -1484.607 where: short stacking energy: -643.267 Base-Backbone interact. energy: -0.834 local terms energy: -691.937276 where: bonds (distance) C4'-P energy: -126.561 bonds (distance) P-C4' energy: -135.626 flat angles C4'-P-C4' energy: -159.363 flat angles P-C4'-P energy: -97.272 tors. eta vs tors. theta energy: -173.115 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: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1931.149841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.149841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.149841 (E_RNA) where: Base-Base interactions energy: -1325.234 where: short stacking energy: -564.194 Base-Backbone interact. energy: -2.054 local terms energy: -603.862595 where: bonds (distance) C4'-P energy: -106.075 bonds (distance) P-C4' energy: -140.452 flat angles C4'-P-C4' energy: -143.171 flat angles P-C4'-P energy: -95.124 tors. eta vs tors. theta energy: -119.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1486.503700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.503700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.503700 (E_RNA) where: Base-Base interactions energy: -948.741 where: short stacking energy: -417.805 Base-Backbone interact. energy: -0.260 local terms energy: -537.502688 where: bonds (distance) C4'-P energy: -113.703 bonds (distance) P-C4' energy: -136.930 flat angles C4'-P-C4' energy: -122.604 flat angles P-C4'-P energy: -94.524 tors. eta vs tors. theta energy: -69.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -3120.141843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.141843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.141843 (E_RNA) where: Base-Base interactions energy: -2221.902 where: short stacking energy: -929.776 Base-Backbone interact. energy: -6.720 local terms energy: -891.519773 where: bonds (distance) C4'-P energy: -156.565 bonds (distance) P-C4' energy: -156.101 flat angles C4'-P-C4' energy: -194.713 flat angles P-C4'-P energy: -118.257 tors. eta vs tors. theta energy: -265.883 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: 3 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2938.448090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.448090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.448090 (E_RNA) where: Base-Base interactions energy: -2084.719 where: short stacking energy: -886.306 Base-Backbone interact. energy: -5.810 local terms energy: -847.919399 where: bonds (distance) C4'-P energy: -159.380 bonds (distance) P-C4' energy: -162.907 flat angles C4'-P-C4' energy: -169.830 flat angles P-C4'-P energy: -127.578 tors. eta vs tors. theta energy: -228.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2875.200122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.200122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.200122 (E_RNA) where: Base-Base interactions energy: -2072.092 where: short stacking energy: -849.198 Base-Backbone interact. energy: 0.606 local terms energy: -803.713395 where: bonds (distance) C4'-P energy: -124.794 bonds (distance) P-C4' energy: -163.860 flat angles C4'-P-C4' energy: -166.894 flat angles P-C4'-P energy: -121.450 tors. eta vs tors. theta energy: -226.715 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: 4, replica: 6 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2806.030432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.030432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.030432 (E_RNA) where: Base-Base interactions energy: -2001.484 where: short stacking energy: -830.324 Base-Backbone interact. energy: -5.617 local terms energy: -798.930226 where: bonds (distance) C4'-P energy: -147.831 bonds (distance) P-C4' energy: -152.167 flat angles C4'-P-C4' energy: -177.111 flat angles P-C4'-P energy: -112.734 tors. eta vs tors. theta energy: -209.087 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: 7 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2581.248239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.248239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.248239 (E_RNA) where: Base-Base interactions energy: -1799.567 where: short stacking energy: -788.711 Base-Backbone interact. energy: -2.315 local terms energy: -779.367042 where: bonds (distance) C4'-P energy: -120.087 bonds (distance) P-C4' energy: -147.834 flat angles C4'-P-C4' energy: -173.341 flat angles P-C4'-P energy: -115.803 tors. eta vs tors. theta energy: -222.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2482.797197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.797197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.797197 (E_RNA) where: Base-Base interactions energy: -1734.994 where: short stacking energy: -705.979 Base-Backbone interact. energy: -2.536 local terms energy: -745.267034 where: bonds (distance) C4'-P energy: -116.570 bonds (distance) P-C4' energy: -149.286 flat angles C4'-P-C4' energy: -174.552 flat angles P-C4'-P energy: -105.820 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: 5 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -2391.851441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.851441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.851441 (E_RNA) where: Base-Base interactions energy: -1660.806 where: short stacking energy: -712.946 Base-Backbone interact. energy: 1.554 local terms energy: -732.598974 where: bonds (distance) C4'-P energy: -145.704 bonds (distance) P-C4' energy: -154.859 flat angles C4'-P-C4' energy: -147.129 flat angles P-C4'-P energy: -97.863 tors. eta vs tors. theta energy: -187.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -2274.680306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.680306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.680306 (E_RNA) where: Base-Base interactions energy: -1578.056 where: short stacking energy: -685.540 Base-Backbone interact. energy: -2.862 local terms energy: -693.761532 where: bonds (distance) C4'-P energy: -141.040 bonds (distance) P-C4' energy: -107.549 flat angles C4'-P-C4' energy: -158.188 flat angles P-C4'-P energy: -110.489 tors. eta vs tors. theta energy: -176.496 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: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1934.133667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.133667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.133667 (E_RNA) where: Base-Base interactions energy: -1341.144 where: short stacking energy: -589.953 Base-Backbone interact. energy: 2.689 local terms energy: -595.678883 where: bonds (distance) C4'-P energy: -119.169 bonds (distance) P-C4' energy: -132.603 flat angles C4'-P-C4' energy: -124.797 flat angles P-C4'-P energy: -85.014 tors. eta vs tors. theta energy: -134.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -1477.216253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.216253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.216253 (E_RNA) where: Base-Base interactions energy: -970.773 where: short stacking energy: -437.867 Base-Backbone interact. energy: -2.696 local terms energy: -503.748032 where: bonds (distance) C4'-P energy: -124.201 bonds (distance) P-C4' energy: -134.349 flat angles C4'-P-C4' energy: -119.289 flat angles P-C4'-P energy: -64.407 tors. eta vs tors. theta energy: -61.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -3064.313977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.313977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.313977 (E_RNA) where: Base-Base interactions energy: -2200.701 where: short stacking energy: -953.398 Base-Backbone interact. energy: -5.377 local terms energy: -858.235830 where: bonds (distance) C4'-P energy: -148.205 bonds (distance) P-C4' energy: -147.031 flat angles C4'-P-C4' energy: -184.965 flat angles P-C4'-P energy: -117.903 tors. eta vs tors. theta energy: -260.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2957.658130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.658130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.658130 (E_RNA) where: Base-Base interactions energy: -2096.683 where: short stacking energy: -886.859 Base-Backbone interact. energy: -5.945 local terms energy: -855.030274 where: bonds (distance) C4'-P energy: -146.965 bonds (distance) P-C4' energy: -162.463 flat angles C4'-P-C4' energy: -175.824 flat angles P-C4'-P energy: -127.676 tors. eta vs tors. theta energy: -242.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2867.691975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.691975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.691975 (E_RNA) where: Base-Base interactions energy: -2050.484 where: short stacking energy: -861.452 Base-Backbone interact. energy: -1.830 local terms energy: -815.377537 where: bonds (distance) C4'-P energy: -139.450 bonds (distance) P-C4' energy: -172.073 flat angles C4'-P-C4' energy: -167.191 flat angles P-C4'-P energy: -119.128 tors. eta vs tors. theta energy: -217.535 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: 6 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2765.345281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.345281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.345281 (E_RNA) where: Base-Base interactions energy: -1979.347 where: short stacking energy: -828.199 Base-Backbone interact. energy: 2.460 local terms energy: -788.458130 where: bonds (distance) C4'-P energy: -129.071 bonds (distance) P-C4' energy: -153.615 flat angles C4'-P-C4' energy: -185.110 flat angles P-C4'-P energy: -107.985 tors. eta vs tors. theta energy: -212.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2577.319736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.319736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.319736 (E_RNA) where: Base-Base interactions energy: -1832.899 where: short stacking energy: -792.826 Base-Backbone interact. energy: 1.178 local terms energy: -745.599304 where: bonds (distance) C4'-P energy: -131.768 bonds (distance) P-C4' energy: -133.034 flat angles C4'-P-C4' energy: -166.440 flat angles P-C4'-P energy: -92.512 tors. eta vs tors. theta energy: -221.846 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: 6, replica: 10 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2536.792129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.792129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.792129 (E_RNA) where: Base-Base interactions energy: -1816.615 where: short stacking energy: -756.709 Base-Backbone interact. energy: 1.623 local terms energy: -721.800411 where: bonds (distance) C4'-P energy: -135.013 bonds (distance) P-C4' energy: -136.138 flat angles C4'-P-C4' energy: -156.704 flat angles P-C4'-P energy: -101.683 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: 7, replica: 5 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -2369.885992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.885992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.885992 (E_RNA) where: Base-Base interactions energy: -1676.001 where: short stacking energy: -731.410 Base-Backbone interact. energy: 1.657 local terms energy: -695.542068 where: bonds (distance) C4'-P energy: -126.003 bonds (distance) P-C4' energy: -141.248 flat angles C4'-P-C4' energy: -146.881 flat angles P-C4'-P energy: -94.108 tors. eta vs tors. theta energy: -187.302 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: 1 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -2222.368059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.368059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.368059 (E_RNA) where: Base-Base interactions energy: -1536.921 where: short stacking energy: -672.470 Base-Backbone interact. energy: -3.726 local terms energy: -681.720974 where: bonds (distance) C4'-P energy: -133.525 bonds (distance) P-C4' energy: -133.633 flat angles C4'-P-C4' energy: -131.264 flat angles P-C4'-P energy: -110.029 tors. eta vs tors. theta energy: -173.271 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: 9, replica: 8 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1907.433042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.433042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.433042 (E_RNA) where: Base-Base interactions energy: -1290.690 where: short stacking energy: -568.619 Base-Backbone interact. energy: -6.110 local terms energy: -610.632766 where: bonds (distance) C4'-P energy: -133.936 bonds (distance) P-C4' energy: -123.824 flat angles C4'-P-C4' energy: -145.105 flat angles P-C4'-P energy: -85.026 tors. eta vs tors. theta energy: -122.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -1345.279487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.279487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.279487 (E_RNA) where: Base-Base interactions energy: -855.271 where: short stacking energy: -410.439 Base-Backbone interact. energy: -0.627 local terms energy: -489.381705 where: bonds (distance) C4'-P energy: -135.424 bonds (distance) P-C4' energy: -118.790 flat angles C4'-P-C4' energy: -117.972 flat angles P-C4'-P energy: -61.693 tors. eta vs tors. theta energy: -55.503 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: 1, replica: 9 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -3065.337380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.337380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.337380 (E_RNA) where: Base-Base interactions energy: -2153.660 where: short stacking energy: -923.309 Base-Backbone interact. energy: 0.100 local terms energy: -911.777928 where: bonds (distance) C4'-P energy: -150.180 bonds (distance) P-C4' energy: -171.907 flat angles C4'-P-C4' energy: -195.973 flat angles P-C4'-P energy: -133.032 tors. eta vs tors. theta energy: -260.686 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: 2 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2943.920846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.920846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.920846 (E_RNA) where: Base-Base interactions energy: -2106.861 where: short stacking energy: -874.470 Base-Backbone interact. energy: -0.433 local terms energy: -836.627119 where: bonds (distance) C4'-P energy: -165.469 bonds (distance) P-C4' energy: -145.450 flat angles C4'-P-C4' energy: -179.456 flat angles P-C4'-P energy: -130.563 tors. eta vs tors. theta energy: -215.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2920.319489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.319489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.319489 (E_RNA) where: Base-Base interactions energy: -2080.947 where: short stacking energy: -878.060 Base-Backbone interact. energy: -6.139 local terms energy: -833.233240 where: bonds (distance) C4'-P energy: -145.297 bonds (distance) P-C4' energy: -157.780 flat angles C4'-P-C4' energy: -179.444 flat angles P-C4'-P energy: -117.071 tors. eta vs tors. theta energy: -233.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2708.128817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.128817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.128817 (E_RNA) where: Base-Base interactions energy: -1911.754 where: short stacking energy: -791.184 Base-Backbone interact. energy: -0.645 local terms energy: -795.729431 where: bonds (distance) C4'-P energy: -153.050 bonds (distance) P-C4' energy: -160.224 flat angles C4'-P-C4' energy: -167.928 flat angles P-C4'-P energy: -113.836 tors. eta vs tors. theta energy: -200.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2565.016550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.016550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.016550 (E_RNA) where: Base-Base interactions energy: -1800.435 where: short stacking energy: -782.571 Base-Backbone interact. energy: -1.533 local terms energy: -763.048536 where: bonds (distance) C4'-P energy: -113.047 bonds (distance) P-C4' energy: -144.225 flat angles C4'-P-C4' energy: -170.216 flat angles P-C4'-P energy: -123.298 tors. eta vs tors. theta energy: -212.263 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: 10 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2497.702053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.702053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.702053 (E_RNA) where: Base-Base interactions energy: -1798.131 where: short stacking energy: -734.947 Base-Backbone interact. energy: -0.224 local terms energy: -699.347233 where: bonds (distance) C4'-P energy: -134.193 bonds (distance) P-C4' energy: -135.494 flat angles C4'-P-C4' energy: -144.249 flat angles P-C4'-P energy: -99.536 tors. eta vs tors. theta energy: -185.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -2360.928092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.928092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.928092 (E_RNA) where: Base-Base interactions energy: -1621.554 where: short stacking energy: -722.721 Base-Backbone interact. energy: 1.516 local terms energy: -740.890104 where: bonds (distance) C4'-P energy: -130.478 bonds (distance) P-C4' energy: -152.997 flat angles C4'-P-C4' energy: -163.995 flat angles P-C4'-P energy: -99.525 tors. eta vs tors. theta energy: -193.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -2193.765674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.765674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.765674 (E_RNA) where: Base-Base interactions energy: -1536.535 where: short stacking energy: -653.893 Base-Backbone interact. energy: 7.414 local terms energy: -664.645222 where: bonds (distance) C4'-P energy: -126.799 bonds (distance) P-C4' energy: -140.379 flat angles C4'-P-C4' energy: -168.731 flat angles P-C4'-P energy: -81.081 tors. eta vs tors. theta energy: -147.655 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: 8 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1956.966509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.966509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.966509 (E_RNA) where: Base-Base interactions energy: -1341.282 where: short stacking energy: -583.555 Base-Backbone interact. energy: -2.125 local terms energy: -613.560067 where: bonds (distance) C4'-P energy: -120.192 bonds (distance) P-C4' energy: -123.791 flat angles C4'-P-C4' energy: -146.201 flat angles P-C4'-P energy: -85.166 tors. eta vs tors. theta energy: -138.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -1335.607725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.607725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.607725 (E_RNA) where: Base-Base interactions energy: -872.539 where: short stacking energy: -385.033 Base-Backbone interact. energy: 6.256 local terms energy: -469.324979 where: bonds (distance) C4'-P energy: -144.714 bonds (distance) P-C4' energy: -124.501 flat angles C4'-P-C4' energy: -119.334 flat angles P-C4'-P energy: -40.219 tors. eta vs tors. theta energy: -40.557 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) replica 9 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 181621637 moves confirmed later: 211270670 all moves confirmed: 392892307 percent of confirmed moves: 49.111538 current total energy: -2965.806140 recalc. total energy: -2965.806140 replica 2 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 114037302 moves confirmed later: 122517451 all moves confirmed: 236554753 percent of confirmed moves: 29.569344 current total energy: -2799.206143 recalc. total energy: -2799.206143 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 140159064 moves confirmed later: 157867525 all moves confirmed: 298026589 percent of confirmed moves: 37.253324 current total energy: -2753.727320 recalc. total energy: -2753.727320 replica 6 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 167321027 moves confirmed later: 192570156 all moves confirmed: 359891183 percent of confirmed moves: 44.986398 current total energy: -2547.701049 recalc. total energy: -2547.701049 replica 10 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 143584011 moves confirmed later: 161613574 all moves confirmed: 305197585 percent of confirmed moves: 38.149698 current total energy: -2394.286274 recalc. total energy: -2394.286274 replica 7 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 161952936 moves confirmed later: 185630200 all moves confirmed: 347583136 percent of confirmed moves: 43.447892 current total energy: -2322.903957 recalc. total energy: -2322.903957 replica 5 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 132651122 moves confirmed later: 147430291 all moves confirmed: 280081413 percent of confirmed moves: 35.010177 current total energy: -2216.929196 recalc. total energy: -2216.929196 replica 1 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 140681975 moves confirmed later: 157495202 all moves confirmed: 298177177 percent of confirmed moves: 37.272147 current total energy: -2035.238862 recalc. total energy: -2035.238862 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 190814135 moves confirmed later: 223079021 all moves confirmed: 413893156 percent of confirmed moves: 51.736644 current total energy: -1883.398451 recalc. total energy: -1883.398451 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 173634955 moves confirmed later: 200283999 all moves confirmed: 373918954 percent of confirmed moves: 46.739869 current total energy: -996.236681 recalc. total energy: -996.236681 out arg RESULTS//1/Domain1_MIR31HG-c952ba98_01 Time of doing 8000000 iterations: 62750.446 seconds